-ISIS- 10201511232D 40 43 0 0 0 0 0 0 0 0999 V2000 1.5417 -5.0667 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1.5417 -5.9958 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.3458 -6.4583 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.1458 -5.9958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1458 -5.0667 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.3458 -4.6042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9458 -6.4583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7500 -5.9958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7500 -5.0667 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.9458 -4.6042 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.5500 -4.6042 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.5500 -3.6792 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.7500 -3.2167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9458 -3.6792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4333 -4.8917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9750 -4.1417 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.4333 -3.3917 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 0.7417 -4.6042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7417 -6.4583 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8792 -7.2583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8083 -7.2583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1458 -3.2167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1458 -4.1417 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6458 -5.5250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6458 -2.7583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7500 -4.1417 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9458 -5.5333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7167 -2.5125 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.6208 -2.3208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1000 -1.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2750 -2.9750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8833 -1.4333 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.1708 -2.7375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8250 -3.3917 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 10.7208 -3.1500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5833 -4.2833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4792 -4.0458 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.9000 -4.1417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.9583 -1.6208 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3250 -3.1542 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 6 1 1 0 0 0 0 4 7 2 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 5 1 0 0 0 0 9 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 14 10 1 0 0 0 0 11 15 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 17 12 1 0 0 0 0 1 18 1 1 0 0 0 2 19 1 6 0 0 0 3 20 1 1 0 0 0 3 21 1 6 0 0 0 14 22 2 0 0 0 0 5 23 1 6 0 0 0 11 24 1 6 0 0 0 12 25 1 1 0 0 0 9 26 1 1 0 0 0 10 27 1 1 0 0 0 17 28 1 0 0 0 0 28 29 1 0 0 0 0 28 30 1 6 0 0 0 29 31 1 0 0 0 0 29 32 2 0 0 0 0 31 33 1 0 0 0 0 33 34 1 0 0 0 0 34 35 1 0 0 0 0 34 36 1 0 0 0 0 34 37 1 0 0 0 0 16 38 1 6 0 0 0 28 39 1 1 0 0 0 17 40 1 6 0 0 0 M END > CFN90376 > Cucurbitacin IIb > 50298-90-3 > 98% > C30H48O7 > 520.70 > Powder > Triterpenoids > Chloroform, Dichloromethane, Ethyl Acetate, DMSO, Acetone, etc. > http://www.chemfaces.com/natural/Cucurbitacin-IIb-CFN90376.html $$$$ -ISIS- 10201511232D 43 46 0 0 0 0 0 0 0 0999 V2000 1.5417 -5.0667 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1.5417 -5.9958 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.3458 -6.4583 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.1458 -5.9958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1458 -5.0667 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.3458 -4.6042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9458 -6.4583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7500 -5.9958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7500 -5.0667 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.9458 -4.6042 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.5500 -4.6042 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.5500 -3.6792 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.7500 -3.2167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9458 -3.6792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4333 -4.8917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9750 -4.1417 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.4333 -3.3917 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 0.7417 -4.6042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7417 -6.4583 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8792 -7.2583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8083 -7.2583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1458 -3.2167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1458 -4.1417 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6458 -5.5250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6458 -2.7583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7500 -4.1417 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9458 -5.5333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7167 -2.5125 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.6208 -2.3208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1000 -1.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2750 -2.9750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8833 -1.4333 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.1708 -2.7375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8250 -3.3917 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 10.7208 -3.1500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5833 -4.2833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4792 -4.0458 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.9000 -4.1417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.9583 -1.6208 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3250 -3.1542 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3708 -3.8083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0250 -4.4625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6125 -2.9125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 6 1 1 0 0 0 0 4 7 2 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 5 1 0 0 0 0 9 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 14 10 1 0 0 0 0 11 15 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 17 12 1 0 0 0 0 1 18 1 1 0 0 0 2 19 1 6 0 0 0 3 20 1 1 0 0 0 3 21 1 6 0 0 0 14 22 2 0 0 0 0 5 23 1 6 0 0 0 11 24 1 6 0 0 0 12 25 1 1 0 0 0 9 26 1 1 0 0 0 10 27 1 1 0 0 0 17 28 1 0 0 0 0 28 29 1 0 0 0 0 28 30 1 6 0 0 0 29 31 1 0 0 0 0 29 32 2 0 0 0 0 31 33 1 0 0 0 0 33 34 1 0 0 0 0 34 35 1 0 0 0 0 34 36 1 0 0 0 0 34 37 1 0 0 0 0 16 38 1 6 0 0 0 28 39 1 1 0 0 0 17 40 1 6 0 0 0 37 41 1 0 0 0 0 41 42 1 0 0 0 0 41 43 2 0 0 0 0 M END > CFN98171 > Cucurbitacin IIA > 58546-34-2 > 98% > C32H50O8 > 562.73 > Powder > Triterpenoids > Chloroform, Dichloromethane, Ethyl Acetate, DMSO, Acetone, etc. > http://www.chemfaces.com/natural/Curcurbitacin-A-CFN98171.html $$$$ -ISIS- 10201511232D 43 46 0 0 0 0 0 0 0 0999 V2000 -2.6125 -4.8500 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.6125 -5.7750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8125 -6.2375 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.0125 -5.7750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0125 -4.8500 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.8125 -4.3875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2083 -6.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5917 -5.7750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5917 -4.8500 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.2083 -4.3875 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 1.3958 -4.3875 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 1.3958 -3.4625 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 0.5917 -3.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2083 -3.4625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2750 -4.6708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8208 -3.9250 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.2750 -3.1750 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.4167 -4.3875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4167 -6.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2750 -7.0417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3500 -7.0417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0083 -3.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0125 -3.9250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4917 -5.3083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4917 -2.5417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5917 -3.9250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2083 -5.3125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5625 -2.2958 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.4667 -2.1042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9417 -1.6083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1208 -2.7583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7292 -1.2167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0125 -2.5167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6667 -3.1708 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 6.5625 -2.9333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4292 -4.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3250 -3.8292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7458 -3.9250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8000 -1.4000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1708 -2.9333 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2167 -3.5875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8708 -4.2417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4542 -2.6958 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 6 1 1 0 0 0 0 4 7 2 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 5 1 0 0 0 0 9 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 14 10 1 0 0 0 0 11 15 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 17 12 1 0 0 0 0 1 18 1 1 0 0 0 2 19 2 0 0 0 0 3 20 1 1 0 0 0 3 21 1 6 0 0 0 14 22 2 0 0 0 0 5 23 1 6 0 0 0 11 24 1 6 0 0 0 12 25 1 1 0 0 0 9 26 1 1 0 0 0 10 27 1 1 0 0 0 17 28 1 0 0 0 0 28 29 1 0 0 0 0 28 30 1 6 0 0 0 29 31 1 0 0 0 0 29 32 2 0 0 0 0 31 33 1 0 0 0 0 33 34 1 0 0 0 0 34 35 1 0 0 0 0 34 36 1 0 0 0 0 34 37 1 0 0 0 0 16 38 1 6 0 0 0 28 39 1 1 0 0 0 17 40 1 6 0 0 0 37 41 1 0 0 0 0 41 42 1 0 0 0 0 41 43 2 0 0 0 0 M END > CFN92140 > Dihydrocucurbitacin B > 13201-14-4 > 98% > C32H48O8 > 560.7 > Powder > Triterpenoids > Chloroform, Dichloromethane, Ethyl Acetate, DMSO, Acetone, etc. > http://www.chemfaces.com/natural/Dihydrocucurbitacin-B-CFN92140.html $$$$ -ISIS- 10201511232D 40 43 0 0 0 0 0 0 0 0999 V2000 -2.6125 -4.8500 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.6125 -5.7750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8125 -6.2375 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.0125 -5.7750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0125 -4.8500 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.8125 -4.3875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2083 -6.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5917 -5.7750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5917 -4.8500 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.2083 -4.3875 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 1.3958 -4.3875 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 1.3958 -3.4625 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 0.5917 -3.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2083 -3.4625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2750 -4.6708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8208 -3.9250 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.2750 -3.1750 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.4167 -4.3875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4167 -6.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2750 -7.0417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3500 -7.0417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0083 -3.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0125 -3.9250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4917 -5.3083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4917 -2.5417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5917 -3.9250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2083 -5.3125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5625 -2.2958 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.4667 -2.1042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9417 -1.6083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1208 -2.7583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7292 -1.2167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0125 -2.5167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6667 -3.1708 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 6.5625 -2.9333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4292 -4.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3250 -3.8292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7458 -3.9250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8000 -1.4000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1708 -2.9333 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 6 1 1 0 0 0 0 4 7 2 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 5 1 0 0 0 0 9 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 14 10 1 0 0 0 0 11 15 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 17 12 1 0 0 0 0 1 18 1 1 0 0 0 2 19 2 0 0 0 0 3 20 1 1 0 0 0 3 21 1 6 0 0 0 14 22 2 0 0 0 0 5 23 1 6 0 0 0 11 24 1 6 0 0 0 12 25 1 1 0 0 0 9 26 1 1 0 0 0 10 27 1 1 0 0 0 17 28 1 0 0 0 0 28 29 1 0 0 0 0 28 30 1 6 0 0 0 29 31 1 0 0 0 0 29 32 2 0 0 0 0 31 33 2 0 0 0 0 33 34 1 0 0 0 0 34 35 1 0 0 0 0 34 36 1 0 0 0 0 34 37 1 0 0 0 0 16 38 1 6 0 0 0 28 39 1 1 0 0 0 17 40 1 6 0 0 0 M END > CFN90209 > Cucurbitacin D > 3877-86-9 > 98% > C32H44O7 > 516.67 > Powder > Triterpenoids > Chloroform, Dichloromethane, Ethyl Acetate, DMSO, Acetone, etc. > http://www.chemfaces.com/natural/Cucurbitacin-D-CFN90209.html $$$$ -ISIS- 10201511232D 43 46 0 0 0 0 0 0 0 0999 V2000 -2.6125 -4.8500 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.6125 -5.7750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8125 -6.2375 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.0125 -5.7750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0125 -4.8500 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.8125 -4.3875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2083 -6.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5917 -5.7750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5917 -4.8500 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.2083 -4.3875 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 1.3958 -4.3875 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 1.3958 -3.4625 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 0.5917 -3.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2083 -3.4625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2750 -4.6708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8208 -3.9250 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.2750 -3.1750 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.4167 -4.3875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4167 -6.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2750 -7.0417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3500 -7.0417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0083 -3.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0125 -3.9250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4917 -5.3083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4917 -2.5417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5917 -3.9250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2083 -5.3125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5625 -2.2958 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.4667 -2.1042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9417 -1.6083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1208 -2.7583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7292 -1.2167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0125 -2.5167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6667 -3.1708 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 6.5625 -2.9333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4292 -4.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3250 -3.8292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7458 -3.9250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8000 -1.4000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1708 -2.9333 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2167 -3.5875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8708 -4.2417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4542 -2.6958 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 6 1 1 0 0 0 0 4 7 2 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 5 1 0 0 0 0 9 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 14 10 1 0 0 0 0 11 15 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 17 12 1 0 0 0 0 1 18 1 1 0 0 0 2 19 2 0 0 0 0 3 20 1 1 0 0 0 3 21 1 6 0 0 0 14 22 2 0 0 0 0 5 23 1 6 0 0 0 11 24 1 6 0 0 0 12 25 1 1 0 0 0 9 26 1 1 0 0 0 10 27 1 1 0 0 0 17 28 1 0 0 0 0 28 29 1 0 0 0 0 28 30 1 6 0 0 0 29 31 1 0 0 0 0 29 32 2 0 0 0 0 31 33 2 0 0 0 0 33 34 1 0 0 0 0 34 35 1 0 0 0 0 34 36 1 0 0 0 0 34 37 1 0 0 0 0 16 38 1 6 0 0 0 28 39 1 1 0 0 0 17 40 1 6 0 0 0 37 41 1 0 0 0 0 41 42 1 0 0 0 0 41 43 2 0 0 0 0 M END > CFN99129 > Cucurbitacin B > 6199-67-3 > 98% > C32H46O8 > 558.70 > White powder > Triterpenoids > Chloroform, Dichloromethane, Ethyl Acetate, DMSO, Acetone, etc. > http://www.chemfaces.com/natural/Cucurbitacin-B-CFN99129.html $$$$ -ISIS- 10201511232D 54 58 0 0 0 0 0 0 0 0999 V2000 1.5417 -5.0667 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1.5417 -5.9958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3458 -6.4583 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.1458 -5.9958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1458 -5.0667 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.3458 -4.6042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9458 -6.4583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7500 -5.9958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7500 -5.0667 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.9458 -4.6042 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.5500 -4.6042 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.5500 -3.6792 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.7500 -3.2167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9458 -3.6792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4333 -4.8917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9750 -4.1417 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.4333 -3.3917 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 0.7417 -4.6042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7417 -6.4583 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8792 -7.2583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8083 -7.2583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1458 -3.2167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1458 -4.1417 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6458 -5.5250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6458 -2.7583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7500 -4.1417 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9458 -5.5333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7167 -2.5125 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.6208 -2.3208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1000 -1.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2750 -2.9750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8833 -1.4333 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.1708 -2.7375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8250 -3.3917 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 10.7208 -3.1500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5833 -4.2833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4792 -4.0458 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.9000 -4.1417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.9583 -1.6208 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3250 -3.1542 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3708 -3.8083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0250 -4.4625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6125 -2.9125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7417 -3.6792 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1.5417 -3.2167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5417 -2.2917 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 0.7417 -1.8292 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.0625 -2.2917 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.0625 -3.2167 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.3417 -1.8292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8625 -1.8292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7417 -0.9042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8625 -3.6792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3417 -0.9042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 6 1 1 0 0 0 0 4 7 2 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 5 1 0 0 0 0 9 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 14 10 1 0 0 0 0 11 15 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 17 12 1 0 0 0 0 1 18 1 1 0 0 0 2 19 2 0 0 0 0 3 20 1 1 0 0 0 3 21 1 6 0 0 0 14 22 2 0 0 0 0 5 23 1 6 0 0 0 11 24 1 6 0 0 0 12 25 1 1 0 0 0 9 26 1 1 0 0 0 10 27 1 1 0 0 0 17 28 1 0 0 0 0 28 29 1 0 0 0 0 28 30 1 6 0 0 0 29 31 1 0 0 0 0 29 32 2 0 0 0 0 31 33 2 0 0 0 0 33 34 1 0 0 0 0 34 35 1 0 0 0 0 34 36 1 0 0 0 0 34 37 1 0 0 0 0 16 38 1 6 0 0 0 28 39 1 1 0 0 0 17 40 1 6 0 0 0 37 41 1 0 0 0 0 41 42 1 0 0 0 0 41 43 2 0 0 0 0 44 18 1 1 0 0 0 44 45 1 0 0 0 0 45 46 1 0 0 0 0 46 47 1 0 0 0 0 47 48 1 0 0 0 0 48 49 1 0 0 0 0 49 44 1 0 0 0 0 46 50 1 1 0 0 0 48 51 1 1 0 0 0 47 52 1 6 0 0 0 49 53 1 6 0 0 0 50 54 1 0 0 0 0 M END > CFN92141 > Cucurbitacin B 2-O-beta-D-glucoside > 65247-27-0 > 98% > C38H56O13 > 720.9 > Powder > Triterpenoids > Pyridine, Methanol, Ethanol, etc. > http://www.chemfaces.com/natural/Cucurbitacin-B-2-O-beta-D-glucoside-CFN92141.html $$$$ -ISIS- 10201511232D 44 47 0 0 0 0 0 0 0 0999 V2000 0.7292 -6.6542 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 0.7292 -7.5792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5292 -8.0417 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.3292 -7.5792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3292 -6.6542 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 1.5292 -6.1917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1333 -8.0417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9333 -7.5792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9333 -6.6542 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.1333 -6.1917 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.7375 -6.1917 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.7375 -5.2667 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.9333 -4.8042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1333 -5.2667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6167 -6.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1625 -5.7292 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.6167 -4.9792 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.0750 -6.1917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0750 -8.0417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0667 -8.8458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9917 -8.8458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3333 -4.8042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8333 -7.1125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8333 -4.3458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9333 -5.7292 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9042 -4.1000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.8083 -3.9083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2833 -3.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4625 -4.5625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0708 -3.0208 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.3542 -4.3208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0083 -4.9750 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 9.9042 -4.7375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7708 -5.8708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6667 -5.6333 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0875 -5.7292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1417 -3.2042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5125 -4.7375 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5583 -5.3917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2125 -6.0458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7958 -4.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1292 -7.1167 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3333 -5.7292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4083 -5.7292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 6 1 1 0 0 0 0 4 7 2 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 5 1 0 0 0 0 9 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 14 10 1 0 0 0 0 11 15 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 17 12 1 0 0 0 0 1 18 1 1 0 0 0 2 19 2 0 0 0 0 3 20 1 1 0 0 0 3 21 1 6 0 0 0 14 22 2 0 0 0 0 11 23 1 6 0 0 0 12 24 1 1 0 0 0 9 25 1 1 0 0 0 17 26 1 0 0 0 0 26 27 1 0 0 0 0 26 28 1 6 0 0 0 27 29 1 0 0 0 0 27 30 2 0 0 0 0 29 31 2 0 0 0 0 31 32 1 0 0 0 0 32 33 1 0 0 0 0 32 34 1 0 0 0 0 32 35 1 0 0 0 0 16 36 1 6 0 0 0 26 37 1 1 0 0 0 17 38 1 6 0 0 0 35 39 1 0 0 0 0 39 40 1 0 0 0 0 39 41 2 0 0 0 0 5 42 1 6 0 0 0 10 43 1 1 0 0 0 43 44 1 0 0 0 0 M END > CFN90324 > Cucurbitacin A > 6040-19-3 > 98% > C32H46O9 > 574.71 > Powder > Triterpenoids > Chloroform, Dichloromethane, Ethyl Acetate, DMSO, Acetone, etc. > http://www.chemfaces.com/natural/Cucurbitacin-A-CFN90324.html $$$$ -ISIS- 10201511232D 43 46 0 0 0 0 0 0 0 0999 V2000 -2.6125 -4.8500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6125 -5.7750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8125 -6.2375 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.0125 -5.7750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0125 -4.8500 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.8125 -4.3875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2083 -6.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5917 -5.7750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5917 -4.8500 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.2083 -4.3875 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 1.3958 -4.3875 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 1.3958 -3.4625 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 0.5917 -3.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2083 -3.4625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2750 -4.6708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8208 -3.9250 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.2750 -3.1750 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.4167 -4.3875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4167 -6.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2750 -7.0417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3500 -7.0417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0083 -3.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0125 -3.9250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4917 -5.3083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4917 -2.5417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5917 -3.9250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2083 -5.3125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5625 -2.2958 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.4667 -2.1042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9417 -1.6083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1208 -2.7583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7292 -1.2167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0125 -2.5167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6667 -3.1708 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 6.5625 -2.9333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4292 -4.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3250 -3.8292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7458 -3.9250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8000 -1.4000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1708 -2.9333 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2167 -3.5875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4542 -2.6958 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.8708 -4.2417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 6 1 2 0 0 0 0 4 7 2 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 5 1 0 0 0 0 9 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 14 10 1 0 0 0 0 11 15 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 17 12 1 0 0 0 0 1 18 1 0 0 0 0 2 19 2 0 0 0 0 3 20 1 1 0 0 0 3 21 1 6 0 0 0 14 22 2 0 0 0 0 5 23 1 6 0 0 0 11 24 1 6 0 0 0 12 25 1 1 0 0 0 9 26 1 1 0 0 0 10 27 1 1 0 0 0 17 28 1 0 0 0 0 28 29 1 0 0 0 0 28 30 1 6 0 0 0 29 31 1 0 0 0 0 29 32 2 0 0 0 0 31 33 2 0 0 0 0 33 34 1 0 0 0 0 34 35 1 0 0 0 0 34 36 1 0 0 0 0 34 37 1 0 0 0 0 16 38 1 6 0 0 0 28 39 1 1 0 0 0 17 40 1 6 0 0 0 37 41 1 0 0 0 0 41 42 2 0 0 0 0 41 43 1 0 0 0 0 M END > CFN90154 > Cucurbitacin E > 18444-66-1 > 98% > C32H44O8 > 556.67 > White powder > Triterpenoids > Chloroform, Dichloromethane, Ethyl Acetate, DMSO, Acetone, etc. > http://www.chemfaces.com/natural/Cucurbitacin-E-CFN90154.html $$$$ -ISIS- 10201511232D 38 42 0 0 0 0 0 0 0 0999 V2000 -2.6125 -4.8500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6125 -5.7750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8125 -6.2375 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.0125 -5.7750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0125 -4.8500 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.8125 -4.3875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2083 -6.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5917 -5.7750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5917 -4.8500 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.2083 -4.3875 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 1.3958 -4.3875 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 1.3958 -3.4625 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 0.5917 -3.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2083 -3.4625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2750 -4.6708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8208 -3.9250 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.2750 -3.1750 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.4167 -4.3875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4167 -6.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2750 -7.0417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3500 -7.0417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0083 -3.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7458 -3.9667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3542 -3.2667 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.1875 -2.3583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3708 -1.9167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5208 -2.2833 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 1.8250 -1.6750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0125 -3.9250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4917 -5.3083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4917 -2.5417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5917 -3.9250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2083 -5.3125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2458 -3.5125 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 3.4125 -0.9958 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4792 -4.4083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9042 -2.8667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1375 -3.7542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 6 1 2 0 0 0 0 4 7 2 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 5 1 0 0 0 0 9 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 14 10 1 0 0 0 0 11 15 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 17 12 1 0 0 0 0 1 18 1 0 0 0 0 2 19 2 0 0 0 0 3 20 1 1 0 0 0 3 21 1 6 0 0 0 14 22 2 0 0 0 0 16 23 1 6 0 0 0 23 24 1 0 0 0 0 24 25 1 0 0 0 0 25 26 1 0 0 0 0 26 27 1 0 0 0 0 17 27 1 1 0 0 0 27 28 1 6 0 0 0 5 29 1 6 0 0 0 11 30 1 6 0 0 0 12 31 1 1 0 0 0 9 32 1 1 0 0 0 10 33 1 1 0 0 0 24 34 1 1 0 0 0 26 35 2 0 0 0 0 34 36 1 0 0 0 0 34 37 1 0 0 0 0 34 38 1 0 0 0 0 M END > CFN90535 > Cucurbitacin S > 60137-06-6 > 98% > C30H42O6 > 498.65 > Powder > Triterpenoids > Chloroform, Dichloromethane, Ethyl Acetate, DMSO, Acetone, etc. > http://www.chemfaces.com/natural/Cucurbitacin-S-CFN90535.html $$$$ -ISIS- 10201511232D 36 40 0 0 0 0 0 0 0 0999 V2000 1.2583 -8.2083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2583 -9.1333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0625 -9.5958 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.8625 -9.1333 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.8625 -8.2083 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.0625 -7.7417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6625 -9.5958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4625 -9.1333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4625 -8.2083 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.6625 -7.7417 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.2667 -7.7417 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.2667 -6.8167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4625 -6.3542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6625 -6.8167 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.1458 -8.0292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6875 -7.2792 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.1458 -6.5333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4333 -5.6542 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.8125 -4.9667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3375 -5.4625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9542 -6.1458 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.8583 -5.9542 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.4792 -6.6417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2667 -8.6708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8625 -6.3542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8625 -7.2792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6000 -10.3958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6708 -7.0292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4625 -7.2792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6625 -8.6708 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5250 -10.3958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8625 -10.0583 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4583 -9.5958 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.1917 -7.5208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3833 -6.4458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1417 -5.0750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 6 1 1 0 0 0 0 4 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 5 1 0 0 0 0 9 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 14 10 1 0 0 0 0 11 15 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 17 12 2 0 0 0 0 17 18 1 0 0 0 0 18 19 1 6 0 0 0 18 20 1 0 0 0 0 20 21 1 0 0 0 0 21 22 1 0 0 0 0 22 23 1 0 0 0 0 11 24 1 1 0 0 0 14 25 1 1 0 0 0 5 26 1 1 0 0 0 3 27 1 1 0 0 0 21 28 1 1 0 0 0 9 29 1 6 0 0 0 10 30 1 1 0 0 0 3 31 1 6 0 0 0 4 32 1 6 0 0 0 2 33 2 0 0 0 0 23 34 2 0 0 0 0 23 35 1 0 0 0 0 22 36 1 1 0 0 0 16 28 1 1 0 0 0 M END > CFN92403 > 25-Anhydroalisol F > 1114895-01-0 > 98% > C30H46O4 > 470.7 > Cryst. > Triterpenoids > Chloroform, Dichloromethane, Ethyl Acetate, DMSO, Acetone, etc. > http://www.chemfaces.com/natural/25-Anhydroalisol-F-CFN92403.html $$$$ -ISIS- 10201511232D 37 41 0 0 0 0 0 0 0 0999 V2000 1.2583 -8.2083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2583 -9.1333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0625 -9.5958 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.8625 -9.1333 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.8625 -8.2083 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.0625 -7.7417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6625 -9.5958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4625 -9.1333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4625 -8.2083 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.6625 -7.7417 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.2667 -7.7417 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.2667 -6.8167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4625 -6.3542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6625 -6.8167 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.1458 -8.0292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6875 -7.2792 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.1458 -6.5333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4333 -5.6542 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.8125 -4.9667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3375 -5.4625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9542 -6.1458 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.8583 -5.9542 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.4792 -6.6417 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 5.2667 -8.6708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8625 -6.3542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8625 -7.2792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6000 -10.3958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6708 -7.0292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4625 -7.2792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6625 -8.6708 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5250 -10.3958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8625 -10.0583 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4583 -9.5958 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.1917 -7.5208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3833 -6.4458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1333 -7.2958 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.1417 -5.0750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 6 1 1 0 0 0 0 4 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 5 1 0 0 0 0 9 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 14 10 1 0 0 0 0 11 15 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 17 12 2 0 0 0 0 17 18 1 0 0 0 0 18 19 1 6 0 0 0 18 20 1 0 0 0 0 20 21 1 0 0 0 0 21 22 1 0 0 0 0 22 23 1 0 0 0 0 11 24 1 1 0 0 0 14 25 1 1 0 0 0 5 26 1 1 0 0 0 3 27 1 1 0 0 0 21 28 1 1 0 0 0 9 29 1 6 0 0 0 10 30 1 1 0 0 0 3 31 1 6 0 0 0 4 32 1 6 0 0 0 2 33 2 0 0 0 0 23 34 1 0 0 0 0 23 35 1 0 0 0 0 23 36 1 0 0 0 0 22 37 1 1 0 0 0 16 28 1 1 0 0 0 M END > CFN92402 > Alisol F > 155521-45-2 > 98% > C30H48O5 > 488.7 > Cryst. > Triterpenoids > Chloroform, Dichloromethane, Ethyl Acetate, DMSO, Acetone, etc. > http://www.chemfaces.com/natural/Alisol-F-CFN92402.html $$$$ -ISIS- 10201511232D 36 40 0 0 0 0 0 0 0 0999 V2000 1.2583 -8.2083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2583 -9.1333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0625 -9.5958 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.8625 -9.1333 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.8625 -8.2083 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.0625 -7.7417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6625 -9.5958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4625 -9.1333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4625 -8.2083 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.6625 -7.7417 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.2667 -7.7417 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.2667 -6.8167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4625 -6.3542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6625 -6.8167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1458 -8.0292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6875 -7.2792 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.1458 -6.5333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4333 -5.6542 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.8125 -4.9667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3375 -5.4625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9542 -6.1458 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.8583 -5.9542 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.4792 -6.6417 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 5.2667 -8.6708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8625 -7.2792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6000 -10.3958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6708 -7.0292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4625 -7.2792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6625 -8.6708 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5250 -10.3958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8625 -10.0583 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4583 -9.5958 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.1917 -7.5208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3833 -6.4458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1333 -7.2958 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.1417 -5.0750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 6 1 1 0 0 0 0 4 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 5 1 0 0 0 0 9 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 13 14 2 0 0 0 0 14 10 1 0 0 0 0 11 15 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 17 12 2 0 0 0 0 17 18 1 0 0 0 0 18 19 1 6 0 0 0 18 20 1 0 0 0 0 20 21 1 0 0 0 0 21 22 1 0 0 0 0 22 23 1 0 0 0 0 11 24 1 1 0 0 0 5 25 1 1 0 0 0 3 26 1 1 0 0 0 21 27 1 1 0 0 0 9 28 1 6 0 0 0 10 29 1 1 0 0 0 3 30 1 6 0 0 0 4 31 1 6 0 0 0 2 32 2 0 0 0 0 23 33 1 0 0 0 0 23 34 1 0 0 0 0 23 35 1 0 0 0 0 22 36 1 1 0 0 0 16 27 1 1 0 0 0 M END > CFN92407 > 24-Deacetylalisol O > 1067510-31-9 > 98% > C30H46O4 > 470.7 > Powder > Triterpenoids > Chloroform, Dichloromethane, Ethyl Acetate, DMSO, Acetone, etc. > http://www.chemfaces.com/natural/24-Deacetylalisol-O-CFN92407.html $$$$ -ISIS- 10201511232D 39 43 0 0 0 0 0 0 0 0999 V2000 1.2583 -8.2083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2583 -9.1333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0625 -9.5958 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.8625 -9.1333 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.8625 -8.2083 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.0625 -7.7417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6625 -9.5958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4625 -9.1333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4625 -8.2083 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.6625 -7.7417 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.2667 -7.7417 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.2667 -6.8167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4625 -6.3542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6625 -6.8167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1458 -8.0292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6875 -7.2792 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.1458 -6.5333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4333 -5.6542 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.8125 -4.9667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3375 -5.4625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9542 -6.1458 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.8583 -5.9542 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.4792 -6.6417 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 5.2667 -8.6708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8625 -7.2792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6000 -10.3958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6708 -7.0292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4625 -7.2792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6625 -8.6708 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5250 -10.3958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8625 -10.0583 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4583 -9.5958 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.1917 -7.5208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3833 -6.4458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1333 -7.2958 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.1417 -5.0750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.0458 -4.8792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6667 -5.5667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3333 -4.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 6 1 1 0 0 0 0 4 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 5 1 0 0 0 0 9 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 13 14 2 0 0 0 0 14 10 1 0 0 0 0 11 15 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 17 12 2 0 0 0 0 17 18 1 0 0 0 0 18 19 1 6 0 0 0 18 20 1 0 0 0 0 20 21 1 0 0 0 0 21 22 1 0 0 0 0 22 23 1 0 0 0 0 11 24 1 1 0 0 0 5 25 1 1 0 0 0 3 26 1 1 0 0 0 21 27 1 1 0 0 0 9 28 1 6 0 0 0 10 29 1 1 0 0 0 3 30 1 6 0 0 0 4 31 1 6 0 0 0 2 32 2 0 0 0 0 23 33 1 0 0 0 0 23 34 1 0 0 0 0 23 35 1 0 0 0 0 22 36 1 1 0 0 0 16 27 1 1 0 0 0 36 37 1 0 0 0 0 37 38 1 0 0 0 0 37 39 2 0 0 0 0 M END > CFN92404 > Alisol O > 928148-51-0 > 98% > C32H48O5 > 512.7 > Cryst. > Triterpenoids > Chloroform, Dichloromethane, Ethyl Acetate, DMSO, Acetone, etc. > http://www.chemfaces.com/natural/Alisol-O-CFN92404.html $$$$ -ISIS- 10201511232D 38 41 0 0 0 0 0 0 0 0999 V2000 1.2583 -8.2083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2583 -9.1333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0625 -9.5958 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.8625 -9.1333 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.8625 -8.2083 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.0625 -7.7417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6625 -9.5958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4625 -9.1333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4625 -8.2083 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.6625 -7.7417 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.2667 -7.7417 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.2667 -6.8167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4625 -6.3542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6625 -6.8167 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.1458 -8.0292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6875 -7.2792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1458 -6.5333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2667 -8.6708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8625 -7.2792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6000 -10.3958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4625 -7.2792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6625 -8.6708 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5250 -10.3958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8625 -10.0583 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4583 -9.5958 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1458 -5.6083 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.3417 -5.1458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9458 -5.1458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8583 -6.3542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7458 -5.6083 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.5458 -5.1458 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.3500 -5.6083 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 7.7458 -6.5333 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6125 -7.2750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.1500 -5.1458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3500 -6.5333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1500 -6.0708 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5458 -4.2208 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 6 1 1 0 0 0 0 4 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 5 1 0 0 0 0 9 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 14 10 1 0 0 0 0 11 15 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 17 12 2 0 0 0 0 11 18 1 1 0 0 0 5 19 1 1 0 0 0 3 20 1 1 0 0 0 9 21 1 6 0 0 0 10 22 1 1 0 0 0 3 23 1 6 0 0 0 4 24 1 6 0 0 0 2 25 2 0 0 0 0 17 26 1 0 0 0 0 26 27 1 6 0 0 0 26 28 1 0 0 0 0 14 29 1 1 0 0 0 28 30 1 0 0 0 0 30 31 1 0 0 0 0 31 32 1 0 0 0 0 30 33 1 1 0 0 0 16 34 2 0 0 0 0 32 35 1 0 0 0 0 32 36 1 0 0 0 0 32 37 1 0 0 0 0 31 38 1 1 0 0 0 M END > CFN92547 > 16-Oxoalisol A > 124515-98-6 > 98% > C30H48O6 > 504.7 > Powder > Triterpenoids > Chloroform, Dichloromethane, Ethyl Acetate, DMSO, Acetone, etc. > http://www.chemfaces.com/natural/16-Oxoalisol-A-CFN92547.html $$$$ -ISIS- 10201511232D 37 41 0 0 0 0 0 0 0 0999 V2000 1.2583 -8.2083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2583 -9.1333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0625 -9.5958 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.8625 -9.1333 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.8625 -8.2083 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.0625 -7.7417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6625 -9.5958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4625 -9.1333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4625 -8.2083 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.6625 -7.7417 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.2667 -7.7417 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.2667 -6.8167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4625 -6.3542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6625 -6.8167 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.1458 -8.0292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6875 -7.2792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1458 -6.5333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2667 -8.6708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8625 -7.2792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6000 -10.3958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4625 -7.2792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6625 -8.6708 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5250 -10.3958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8625 -10.0583 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4583 -9.5958 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1458 -5.6083 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.3417 -5.1458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9458 -5.1458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8583 -6.3542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7458 -5.6083 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.5458 -5.1458 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.3500 -5.6083 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.3500 -6.5333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3500 -4.6833 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.2417 -5.8458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7458 -6.5333 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6125 -7.2750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 6 1 1 0 0 0 0 4 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 5 1 0 0 0 0 9 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 14 10 1 0 0 0 0 11 15 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 17 12 2 0 0 0 0 11 18 1 1 0 0 0 5 19 1 1 0 0 0 3 20 1 1 0 0 0 9 21 1 6 0 0 0 10 22 1 1 0 0 0 3 23 1 6 0 0 0 4 24 1 6 0 0 0 2 25 2 0 0 0 0 17 26 1 0 0 0 0 26 27 1 6 0 0 0 26 28 1 0 0 0 0 14 29 1 1 0 0 0 28 30 1 0 0 0 0 30 31 1 0 0 0 0 31 32 1 0 0 0 0 32 33 1 0 0 0 0 31 34 1 1 0 0 0 32 34 1 1 0 0 0 32 35 1 0 0 0 0 30 36 1 1 0 0 0 16 37 2 0 0 0 0 M END > CFN92545 > Alisol C > 30489-27-1 > 98% > C30H46O5 > 486.7 > Powder > Triterpenoids > Chloroform, Dichloromethane, Ethyl Acetate, DMSO, Acetone, etc. > http://www.chemfaces.com/natural/Alisol-C-CFN92545.html $$$$ -ISIS- 10201511232D 40 44 0 0 0 0 0 0 0 0999 V2000 1.2583 -8.2083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2583 -9.1333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0625 -9.5958 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.8625 -9.1333 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.8625 -8.2083 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.0625 -7.7417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6625 -9.5958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4625 -9.1333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4625 -8.2083 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.6625 -7.7417 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.2667 -7.7417 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.2667 -6.8167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4625 -6.3542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6625 -6.8167 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.1458 -8.0292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6875 -7.2792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1458 -6.5333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2667 -8.6708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8625 -7.2792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6000 -10.3958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4625 -7.2792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6625 -8.6708 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5250 -10.3958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8625 -10.0583 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4583 -9.5958 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1458 -5.6083 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.3417 -5.1458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9458 -5.1458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8583 -6.3542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7458 -5.6083 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.5458 -5.1458 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.3500 -5.6083 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.3500 -6.5333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3500 -4.6833 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.2417 -5.8458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7458 -6.5333 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6125 -7.2750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.2083 -7.3333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7458 -8.1333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1333 -7.3333 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 6 1 1 0 0 0 0 4 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 5 1 0 0 0 0 9 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 14 10 1 0 0 0 0 11 15 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 17 12 2 0 0 0 0 11 18 1 1 0 0 0 5 19 1 1 0 0 0 3 20 1 1 0 0 0 9 21 1 6 0 0 0 10 22 1 1 0 0 0 3 23 1 6 0 0 0 4 24 1 6 0 0 0 2 25 2 0 0 0 0 17 26 1 0 0 0 0 26 27 1 6 0 0 0 26 28 1 0 0 0 0 14 29 1 1 0 0 0 28 30 1 0 0 0 0 30 31 1 0 0 0 0 31 32 1 0 0 0 0 32 33 1 0 0 0 0 31 34 1 1 0 0 0 32 34 1 1 0 0 0 32 35 1 0 0 0 0 30 36 1 1 0 0 0 16 37 2 0 0 0 0 36 38 1 0 0 0 0 38 39 1 0 0 0 0 38 40 2 0 0 0 0 M END > CFN90199 > Alisol C monoacetate > 26575-93-9 > 98% > C32H48O6 > 528.73 > White powder > Triterpenoids > Chloroform, Dichloromethane, Ethyl Acetate, DMSO, Acetone, etc. > http://www.chemfaces.com/natural/Alisol-C-monoacetate-CFN90199.html $$$$ -ISIS- 10201511232D 40 45 0 0 0 0 0 0 0 0999 V2000 1.2583 -8.2083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2583 -9.1333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0625 -9.5958 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.8625 -9.1333 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.8625 -8.2083 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.0625 -7.7417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6625 -9.5958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4625 -9.1333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4625 -8.2083 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.6625 -7.7417 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.2667 -7.7417 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.2667 -6.8167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4625 -6.3542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6625 -6.8167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1458 -8.0292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6875 -7.2792 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.1458 -6.5333 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.2667 -8.6708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8625 -7.2792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6000 -10.3958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4625 -7.2792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6625 -8.6708 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5250 -10.3958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8625 -10.0583 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4583 -9.5958 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1458 -5.6083 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.3417 -5.1458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9458 -5.1458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8583 -6.3542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7458 -5.6083 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.5458 -5.1458 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.3500 -5.6083 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.3500 -6.5333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3500 -4.6833 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.2417 -5.8458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7458 -6.5333 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0708 -6.5333 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.2083 -7.3333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7458 -8.1333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1333 -7.3333 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 6 1 1 0 0 0 0 4 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 5 1 0 0 0 0 9 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 2 0 0 0 0 13 14 1 0 0 0 0 14 10 1 0 0 0 0 11 15 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 17 12 1 0 0 0 0 11 18 1 1 0 0 0 5 19 1 1 0 0 0 3 20 1 1 0 0 0 9 21 1 6 0 0 0 10 22 1 1 0 0 0 3 23 1 6 0 0 0 4 24 1 6 0 0 0 2 25 2 0 0 0 0 17 26 1 0 0 0 0 26 27 1 6 0 0 0 26 28 1 0 0 0 0 14 29 2 0 0 0 0 28 30 1 0 0 0 0 30 31 1 0 0 0 0 31 32 1 0 0 0 0 32 33 1 0 0 0 0 31 34 1 1 0 0 0 32 34 1 1 0 0 0 32 35 1 0 0 0 0 30 36 1 1 0 0 0 17 37 1 1 0 0 0 16 37 1 1 0 0 0 36 38 1 0 0 0 0 38 39 1 0 0 0 0 38 40 2 0 0 0 0 M END > CFN92405 > Alisol K 23-acetate > 228095-18-9 > 98% > C32H46O6 > 526.7 > Powder > Triterpenoids > Chloroform, Dichloromethane, Ethyl Acetate, DMSO, Acetone, etc. > http://www.chemfaces.com/natural/Alisol-K-23-acetate-CFN92405.html $$$$ -ISIS- 10201511232D 57 63 0 0 0 0 0 0 0 0999 V2000 5.6542 -3.1708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6542 -4.0083 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.3833 -4.4292 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.1083 -4.0083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1083 -3.1708 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.3833 -2.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8333 -4.4292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5625 -4.0083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5625 -3.1708 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.8333 -2.7500 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.2875 -2.7500 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.2875 -1.9125 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.5625 -1.4917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8333 -1.9125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0833 -3.0083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5792 -2.3292 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.0833 -1.6542 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.9625 -5.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8000 -5.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1083 -2.3333 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3750 -3.5833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4167 -2.3292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.3458 -0.8542 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.1542 -1.0708 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.6125 -0.3667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0833 0.2833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3000 -0.0167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6167 -0.4375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9250 -1.6542 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5958 0.4375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.4500 -0.3250 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 12.9042 -1.0292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8292 0.4208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1083 -1.4917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.3750 -1.0792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8333 -3.5875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5625 -2.3333 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9292 -4.4250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2042 -4.0083 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.2042 -3.1708 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4792 -2.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7500 -3.1708 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.7500 -4.0083 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.4792 -4.4250 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.0250 -4.4250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0250 -2.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4792 -5.2625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7500 -5.6833 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.0250 -5.2625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3000 -5.6833 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1.3000 -6.5208 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.0250 -6.9417 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.7500 -6.5208 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 0.5750 -5.2667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4750 -6.9417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0250 -7.7792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5750 -6.9417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 6 1 1 0 0 0 0 4 7 2 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 5 1 0 0 0 0 9 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 14 10 1 0 0 0 0 11 15 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 17 12 1 0 0 0 0 3 18 1 1 0 0 0 3 19 1 6 0 0 0 5 20 1 6 0 0 0 11 21 1 6 0 0 0 16 22 1 6 0 0 0 17 23 1 0 0 0 0 23 24 1 0 0 0 0 24 25 1 0 0 0 0 25 26 2 0 0 0 0 26 27 1 0 0 0 0 27 23 1 0 0 0 0 23 28 1 6 0 0 0 17 29 1 6 0 0 0 27 30 2 0 0 0 0 25 31 1 0 0 0 0 31 32 1 0 0 0 0 31 33 1 0 0 0 0 14 34 2 0 0 0 0 12 35 1 1 0 0 0 10 36 1 1 0 0 0 9 37 1 1 0 0 0 2 38 1 6 0 0 0 39 38 1 1 0 0 0 39 40 1 0 0 0 0 40 41 1 0 0 0 0 41 42 1 0 0 0 0 42 43 1 0 0 0 0 43 44 1 0 0 0 0 44 39 1 0 0 0 0 43 45 1 1 0 0 0 42 46 1 6 0 0 0 44 47 1 6 0 0 0 48 47 1 1 0 0 0 48 49 1 0 0 0 0 49 50 1 0 0 0 0 50 51 1 0 0 0 0 51 52 1 0 0 0 0 52 53 1 0 0 0 0 53 48 1 0 0 0 0 50 54 1 6 0 0 0 53 55 1 6 0 0 0 52 56 1 6 0 0 0 51 57 1 1 0 0 0 M END > CFN99942 > Picfeltarraenin IA > 97230-47-2 > 98% > C41H62O13 > 762.92 > White powder > Triterpenoids > Pyridine, Methanol, Ethanol, etc. > http://www.chemfaces.com/natural/Picfeltarraenin-A-CFN99942.html $$$$ -ISIS- 10201511232D 59 65 0 0 0 0 0 0 0 0999 V2000 4.4583 -6.2625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4583 -7.1000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.1875 -7.5208 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.9125 -7.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9125 -6.2625 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.1875 -5.8417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6375 -7.5208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3667 -7.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3667 -6.2625 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.6375 -5.8417 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.0917 -5.8417 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.0917 -5.0042 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.3667 -4.5833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6375 -5.0042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8875 -6.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3833 -5.4208 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.8875 -4.7458 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.7667 -8.2458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6042 -8.2458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9125 -5.4250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1792 -6.6750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2208 -5.4208 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.1500 -3.9458 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.9583 -4.1625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.4167 -3.4583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8875 -2.8083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1042 -3.1083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4208 -3.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7292 -4.7458 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4000 -2.6542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.2542 -3.4167 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 11.7083 -4.1208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6333 -2.6708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9125 -4.5833 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.1792 -4.1708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6375 -6.6792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3667 -5.4250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7333 -7.5167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0083 -7.1000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.0083 -6.2625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2833 -5.8417 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 1.5542 -6.2625 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1.5542 -7.1000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.2833 -7.5167 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 0.8292 -7.5167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8292 -5.8417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2833 -8.3542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5542 -8.7750 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 0.8292 -8.3542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1042 -8.7750 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 0.1042 -9.6125 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 0.8292 -10.0333 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1.5542 -9.6125 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.6208 -8.3583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2792 -10.0333 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8292 -10.8708 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6208 -10.0333 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2833 -5.0042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5583 -4.5833 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 6 1 1 0 0 0 0 4 7 2 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 5 1 0 0 0 0 9 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 14 10 1 0 0 0 0 11 15 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 17 12 1 0 0 0 0 3 18 1 1 0 0 0 3 19 1 6 0 0 0 5 20 1 6 0 0 0 11 21 1 6 0 0 0 16 22 1 6 0 0 0 17 23 1 0 0 0 0 23 24 1 0 0 0 0 24 25 1 0 0 0 0 25 26 2 0 0 0 0 26 27 1 0 0 0 0 27 23 1 0 0 0 0 23 28 1 6 0 0 0 17 29 1 6 0 0 0 27 30 2 0 0 0 0 25 31 1 0 0 0 0 31 32 1 0 0 0 0 31 33 1 0 0 0 0 14 34 2 0 0 0 0 12 35 1 1 0 0 0 10 36 1 1 0 0 0 9 37 1 1 0 0 0 2 38 1 6 0 0 0 39 38 1 1 0 0 0 39 40 1 0 0 0 0 40 41 1 0 0 0 0 41 42 1 0 0 0 0 42 43 1 0 0 0 0 43 44 1 0 0 0 0 44 39 1 0 0 0 0 43 45 1 1 0 0 0 42 46 1 6 0 0 0 44 47 1 6 0 0 0 48 47 1 1 0 0 0 48 49 1 0 0 0 0 49 50 1 0 0 0 0 50 51 1 0 0 0 0 51 52 1 0 0 0 0 52 53 1 0 0 0 0 53 48 1 0 0 0 0 50 54 1 6 0 0 0 53 55 1 6 0 0 0 52 56 1 6 0 0 0 51 57 1 1 0 0 0 41 58 1 1 0 0 0 58 59 1 0 0 0 0 M END > CFN90712 > Picfeltarraenin IB > 97230-46-1 > 98% > C42H64O14 > 792.95 > Powder > Triterpenoids > Pyridine, Methanol, Ethanol, etc. > http://www.chemfaces.com/natural/Picfeltarraenin-IB-CFN90712.html $$$$ -ISIS- 10201511232D 68 75 0 0 0 0 0 0 0 0999 V2000 4.4583 -6.2625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4583 -7.1000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.1875 -7.5208 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.9125 -7.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9125 -6.2625 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.1875 -5.8417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6375 -7.5208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3667 -7.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3667 -6.2625 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.6375 -5.8417 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.0917 -5.8417 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.0917 -5.0042 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.3667 -4.5833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6375 -5.0042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8875 -6.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3833 -5.4208 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.8875 -4.7458 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.7667 -8.2458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6042 -8.2458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9125 -5.4250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1792 -6.6750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2208 -5.4208 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.1500 -3.9458 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.9583 -4.1625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.4167 -3.4583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8875 -2.8083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1042 -3.1083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4208 -3.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7292 -4.7458 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4000 -2.6542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.2542 -3.4167 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 11.7083 -4.1208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6333 -2.6708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9125 -4.5833 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.1792 -4.1708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6375 -6.6792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3667 -5.4250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7333 -7.5167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0083 -7.1000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.0083 -6.2625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2833 -5.8417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5542 -6.2625 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1.5542 -7.1000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.2833 -7.5167 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 0.8292 -7.5167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8292 -5.8417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2833 -8.3542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1042 -7.0958 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 0.1042 -6.2583 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6208 -5.8375 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.3458 -6.2583 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.3458 -7.0958 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.6208 -7.5167 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.0708 -7.5125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6167 -5.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0708 -5.8375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6167 -8.3542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3417 -8.7750 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.0708 -8.3542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7958 -8.7750 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.7958 -9.6125 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.0708 -10.0292 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.3417 -9.6125 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.5208 -10.0292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5208 -8.3542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0708 -10.8667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6167 -10.0292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3458 -4.5792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 6 1 1 0 0 0 0 4 7 2 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 5 1 0 0 0 0 9 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 14 10 1 0 0 0 0 11 15 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 17 12 1 0 0 0 0 3 18 1 1 0 0 0 3 19 1 6 0 0 0 5 20 1 6 0 0 0 11 21 1 6 0 0 0 16 22 1 6 0 0 0 17 23 1 0 0 0 0 23 24 1 0 0 0 0 24 25 1 0 0 0 0 25 26 2 0 0 0 0 26 27 1 0 0 0 0 27 23 1 0 0 0 0 23 28 1 6 0 0 0 17 29 1 6 0 0 0 27 30 2 0 0 0 0 25 31 1 0 0 0 0 31 32 1 0 0 0 0 31 33 1 0 0 0 0 14 34 2 0 0 0 0 12 35 1 1 0 0 0 10 36 1 1 0 0 0 9 37 1 1 0 0 0 2 38 1 6 0 0 0 39 38 1 1 0 0 0 39 40 1 0 0 0 0 40 41 1 0 0 0 0 41 42 1 0 0 0 0 42 43 1 0 0 0 0 43 44 1 0 0 0 0 44 39 1 0 0 0 0 43 45 1 1 0 0 0 42 46 1 6 0 0 0 44 47 1 6 0 0 0 48 45 1 1 0 0 0 48 49 1 0 0 0 0 49 50 1 0 0 0 0 50 51 1 0 0 0 0 51 52 1 0 0 0 0 52 53 1 0 0 0 0 53 48 1 0 0 0 0 52 54 1 1 0 0 0 50 55 1 1 0 0 0 51 56 1 6 0 0 0 53 57 1 6 0 0 0 58 57 1 1 0 0 0 58 59 1 0 0 0 0 59 60 1 0 0 0 0 60 61 1 0 0 0 0 61 62 1 0 0 0 0 62 63 1 0 0 0 0 63 58 1 0 0 0 0 61 64 1 1 0 0 0 60 65 1 6 0 0 0 62 66 1 6 0 0 0 63 67 1 6 0 0 0 55 68 1 0 0 0 0 M END > CFN90719 > Picfeltarraenin IV > 184288-35-5 > 98% > C47H72O18 > 925.06 > Powder > Triterpenoids > Pyridine, Methanol, Ethanol, etc. > http://www.chemfaces.com/natural/Picfeltarraenin-IV-CFN90719.html $$$$ -ISIS- 10201511232D 50 55 0 0 0 0 0 0 0 0999 V2000 4.4583 -6.2625 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.4583 -7.1000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.1875 -7.5208 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.9125 -7.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9125 -6.2625 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.1875 -5.8417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6375 -7.5208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3667 -7.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3667 -6.2625 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.6375 -5.8417 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.0917 -5.8417 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.0917 -5.0042 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.3667 -4.5833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6375 -5.0042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8875 -6.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3833 -5.4208 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.8875 -4.7458 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.7667 -8.2458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6042 -8.2458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9125 -5.4250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1792 -6.6750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2208 -5.4208 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.1500 -3.9458 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.9583 -4.1625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.4167 -3.4583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8875 -2.8083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1042 -3.1083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4208 -3.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7292 -4.7458 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4000 -2.6542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.2542 -3.4167 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 11.7083 -4.1208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6333 -2.6708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9125 -4.5833 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.1792 -4.1708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6375 -6.6792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3667 -5.4250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7333 -7.5167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7333 -5.8417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7333 -5.0042 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.4583 -4.5875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4583 -3.7458 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.7333 -3.3292 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.0042 -3.7458 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.0042 -4.5875 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.2792 -3.3292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1833 -3.3292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7333 -2.4917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2792 -5.0042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1833 -2.4917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 6 1 1 0 0 0 0 4 7 2 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 5 1 0 0 0 0 9 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 14 10 1 0 0 0 0 11 15 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 17 12 1 0 0 0 0 3 18 1 1 0 0 0 3 19 1 6 0 0 0 5 20 1 6 0 0 0 11 21 1 6 0 0 0 16 22 1 6 0 0 0 17 23 1 0 0 0 0 23 24 1 0 0 0 0 24 25 1 0 0 0 0 25 26 2 0 0 0 0 26 27 1 0 0 0 0 27 23 1 0 0 0 0 23 28 1 6 0 0 0 17 29 1 6 0 0 0 27 30 2 0 0 0 0 25 31 1 0 0 0 0 31 32 1 0 0 0 0 31 33 1 0 0 0 0 14 34 2 0 0 0 0 12 35 1 1 0 0 0 10 36 1 1 0 0 0 9 37 1 1 0 0 0 2 38 1 6 0 0 0 1 39 1 1 0 0 0 40 39 1 1 0 0 0 40 41 1 0 0 0 0 41 42 1 0 0 0 0 42 43 1 0 0 0 0 43 44 1 0 0 0 0 44 45 1 0 0 0 0 45 40 1 0 0 0 0 44 46 1 1 0 0 0 42 47 1 1 0 0 0 43 48 1 6 0 0 0 45 49 1 6 0 0 0 47 50 1 0 0 0 0 M END > CFN90730 > Picfeltarraenin X > 1391826-61-1 > 98% > C36H54O11 > 662.81 > Powder > Triterpenoids > Pyridine, Methanol, Ethanol, etc. > http://www.chemfaces.com/natural/Picfeltarraenin-X-CFN90730.html $$$$ -ISIS- 10201511232D 35 39 0 0 0 0 0 0 0 0999 V2000 1.2583 -8.2083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2583 -9.1333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0625 -9.5958 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.8625 -9.1333 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.8625 -8.2083 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.0625 -7.7417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6625 -9.5958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4625 -9.1333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4625 -8.2083 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.6625 -7.7417 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.2667 -7.7417 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.2667 -6.8167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4625 -6.3542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6625 -6.8167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1458 -8.0292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6875 -7.2792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1458 -6.5333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4333 -5.6542 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.8125 -4.9667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3375 -5.4625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9542 -6.1458 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.8583 -5.9542 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.4792 -6.6417 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.7667 -5.7625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.2375 -7.5375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2792 -7.1042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2667 -8.6708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8625 -7.2792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6000 -10.3958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6708 -7.0292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4625 -7.2792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6625 -8.6708 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5250 -10.3958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8625 -10.0583 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4583 -9.5958 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 6 1 1 0 0 0 0 4 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 5 1 0 0 0 0 9 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 14 10 1 0 0 0 0 11 15 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 17 12 2 0 0 0 0 17 18 1 0 0 0 0 18 19 1 6 0 0 0 18 20 1 0 0 0 0 20 21 1 0 0 0 0 21 22 1 0 0 0 0 22 23 1 0 0 0 0 23 24 1 1 0 0 0 22 24 1 1 0 0 0 23 25 1 0 0 0 0 23 26 1 0 0 0 0 11 27 1 1 0 0 0 5 28 1 1 0 0 0 3 29 1 1 0 0 0 21 30 1 1 0 0 0 9 31 1 6 0 0 0 10 32 1 1 0 0 0 3 33 1 6 0 0 0 4 34 1 6 0 0 0 2 35 2 0 0 0 0 M END > CFN92401 > 11-Deoxyalisol B > 155073-73-7 > 98% > C30H48O3 > 456.7 > Powder > Triterpenoids > Chloroform, Dichloromethane, Ethyl Acetate, DMSO, Acetone, etc. > http://www.chemfaces.com/natural/11-Deoxyalisol-B-CFN92401.html $$$$ -ISIS- 10201511232D 36 40 0 0 0 0 0 0 0 0999 V2000 1.2583 -8.2083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2583 -9.1333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0625 -9.5958 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.8625 -9.1333 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.8625 -8.2083 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.0625 -7.7417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6625 -9.5958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4625 -9.1333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4625 -8.2083 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.6625 -7.7417 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.2667 -7.7417 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.2667 -6.8167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4625 -6.3542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6625 -6.8167 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.1458 -8.0292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6875 -7.2792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1458 -6.5333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4333 -5.6542 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.8125 -4.9667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3375 -5.4625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9542 -6.1458 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.8583 -5.9542 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.4792 -6.6417 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.7667 -5.7625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.2375 -7.5375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2792 -7.1042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2667 -8.6708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8625 -6.3542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8625 -7.2792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6000 -10.3958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6708 -7.0292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4625 -7.2792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6625 -8.6708 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5250 -10.3958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8625 -10.0583 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4583 -9.5958 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 6 1 1 0 0 0 0 4 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 5 1 0 0 0 0 9 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 14 10 1 0 0 0 0 11 15 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 17 12 2 0 0 0 0 17 18 1 0 0 0 0 18 19 1 6 0 0 0 18 20 1 0 0 0 0 20 21 1 0 0 0 0 21 22 1 0 0 0 0 22 23 1 0 0 0 0 23 24 1 1 0 0 0 22 24 1 1 0 0 0 23 25 1 0 0 0 0 23 26 1 0 0 0 0 11 27 1 1 0 0 0 14 28 1 1 0 0 0 5 29 1 1 0 0 0 3 30 1 1 0 0 0 21 31 1 1 0 0 0 9 32 1 6 0 0 0 10 33 1 1 0 0 0 3 34 1 6 0 0 0 4 35 1 6 0 0 0 2 36 2 0 0 0 0 M END > CFN92406 > Alisol B > 18649-93-9 > 98% > C30H48O4 > 472.7 > Cryst. > Triterpenoids > Chloroform, Dichloromethane, Ethyl Acetate, DMSO, Acetone, etc. > http://www.chemfaces.com/natural/Alisol-B-CFN92406.html $$$$ -ISIS- 10201511232D 40 44 0 0 0 0 0 0 0 0999 V2000 0.9833 -7.5958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9833 -8.5208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7875 -8.9833 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.5875 -8.5208 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.5875 -7.5958 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1.7875 -7.1292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3875 -8.9833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1875 -8.5208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1875 -7.5958 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.3875 -7.1292 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.9917 -7.1292 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.9917 -6.2042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1875 -5.7417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3875 -6.2042 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.8708 -7.4167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4125 -6.6667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8708 -5.9208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1583 -5.0417 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.5375 -4.3542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0625 -4.8500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6792 -5.5333 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.5833 -5.3417 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.9917 -8.0583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5875 -5.7417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5875 -6.6667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3250 -9.7833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3958 -6.4167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1875 -6.6667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3875 -8.0583 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2500 -9.7833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5875 -9.4458 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1833 -8.9833 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6333 -7.3083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9792 -7.9625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5292 -7.5500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.8708 -4.4625 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 9.4917 -5.1500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.3333 -3.6625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2167 -3.8083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0458 -6.1458 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 6 1 1 0 0 0 0 4 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 5 1 0 0 0 0 9 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 14 10 1 0 0 0 0 11 15 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 17 12 2 0 0 0 0 17 18 1 0 0 0 0 18 19 1 6 0 0 0 18 20 1 0 0 0 0 20 21 1 0 0 0 0 21 22 1 0 0 0 0 11 23 1 1 0 0 0 14 24 1 1 0 0 0 5 25 1 1 0 0 0 3 26 1 1 0 0 0 21 27 1 1 0 0 0 9 28 1 6 0 0 0 10 29 1 1 0 0 0 3 30 1 6 0 0 0 4 31 1 6 0 0 0 2 32 2 0 0 0 0 27 33 1 0 0 0 0 33 34 1 0 0 0 0 33 35 2 0 0 0 0 22 36 1 0 0 0 0 22 37 1 0 0 0 0 37 36 1 0 0 0 0 36 38 1 0 0 0 0 36 39 1 0 0 0 0 22 40 1 1 0 0 0 M END > CFN90158 > Alisol acetate B > 19865-76-0 > 98% > C32H50O5 > 514.74 > Cryst. > Triterpenoids > Chloroform, Dichloromethane, Ethyl Acetate, DMSO, Acetone, etc. > http://www.chemfaces.com/natural/Alisol-acetate-B-CFN90158.html $$$$ -ISIS- 10201511232D 39 43 0 0 0 0 0 0 0 0999 V2000 1.2583 -8.2083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2583 -9.1333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0625 -9.5958 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.8625 -9.1333 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.8625 -8.2083 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.0625 -7.7417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6625 -9.5958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4625 -9.1333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4625 -8.2083 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.6625 -7.7417 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.2667 -7.7417 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.2667 -6.8167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4625 -6.3542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6625 -6.8167 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.1458 -8.0292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6875 -7.2792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1458 -6.5333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4333 -5.6542 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.8125 -4.9667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3375 -5.4625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9542 -6.1458 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.8583 -5.9542 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.4792 -6.6417 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.7667 -5.7625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.2375 -7.5375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2792 -7.1042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2667 -8.6708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8625 -6.3542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8625 -7.2792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6000 -10.3958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6708 -7.0292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4625 -7.2792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6625 -8.6708 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5250 -10.3958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8625 -10.0583 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4583 -9.5958 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.9083 -7.9208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8042 -8.1625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2542 -8.5750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 6 1 1 0 0 0 0 4 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 5 1 0 0 0 0 9 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 14 10 1 0 0 0 0 11 15 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 17 12 2 0 0 0 0 17 18 1 0 0 0 0 18 19 1 6 0 0 0 18 20 1 0 0 0 0 20 21 1 0 0 0 0 21 22 1 0 0 0 0 22 23 1 0 0 0 0 23 24 1 1 0 0 0 22 24 1 1 0 0 0 23 25 1 0 0 0 0 23 26 1 0 0 0 0 11 27 1 1 0 0 0 14 28 1 1 0 0 0 5 29 1 1 0 0 0 3 30 1 1 0 0 0 21 31 1 1 0 0 0 9 32 1 6 0 0 0 10 33 1 1 0 0 0 3 34 1 6 0 0 0 4 35 1 6 0 0 0 2 36 2 0 0 0 0 31 37 1 0 0 0 0 37 38 2 0 0 0 0 37 39 1 0 0 0 0 M END > CFN99753 > Alisol B 23-acetate > 26575-95-1 > 98% > C32H50O5 > 514.8 > White powder > Triterpenoids > Chloroform, Dichloromethane, Ethyl Acetate, DMSO, Acetone, etc. > http://www.chemfaces.com/natural/Alisol-B-23-acetate-CFN99753.html $$$$ -ISIS- 10201511232D 36 39 0 0 0 0 0 0 0 0999 V2000 1.2083 -8.2250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2083 -9.1500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0125 -9.6125 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.8125 -9.1500 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.8125 -8.2250 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.0125 -7.7583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6125 -9.6125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4125 -9.1500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4125 -8.2250 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.6125 -7.7583 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.2167 -7.7583 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.2167 -6.8333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4125 -6.3708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6125 -6.8333 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.0958 -8.0458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6375 -7.2958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0958 -6.5500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3833 -5.6708 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.7625 -4.9833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2875 -5.4792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9042 -6.1625 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.8083 -5.9708 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.4292 -6.6583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2167 -8.6875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8125 -6.3708 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8125 -7.2958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5500 -10.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6208 -7.0458 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4125 -7.2958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6125 -8.6875 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4750 -10.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8125 -10.0750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4083 -9.6125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.1417 -7.5375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3333 -6.4667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0958 -5.0917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 6 1 1 0 0 0 0 4 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 5 1 0 0 0 0 9 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 14 10 1 0 0 0 0 11 15 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 17 12 2 0 0 0 0 17 18 1 0 0 0 0 18 19 1 6 0 0 0 18 20 1 0 0 0 0 20 21 1 0 0 0 0 21 22 1 0 0 0 0 22 23 1 0 0 0 0 11 24 1 1 0 0 0 14 25 1 1 0 0 0 5 26 1 1 0 0 0 3 27 1 1 0 0 0 21 28 1 1 0 0 0 9 29 1 6 0 0 0 10 30 1 1 0 0 0 3 31 1 6 0 0 0 4 32 1 6 0 0 0 2 33 2 0 0 0 0 23 34 2 0 0 0 0 23 35 1 0 0 0 0 22 36 1 1 0 0 0 M END > CFN92548 > Alisol G > 155521-46-3 > 98% > C30H48O4 > 472.7 > Powder > Triterpenoids > Chloroform, Dichloromethane, Ethyl Acetate, DMSO, Acetone, etc. > http://www.chemfaces.com/natural/Alisol-G-CFN92548.html $$$$ -ISIS- 10201511232D 37 40 0 0 0 0 0 0 0 0999 V2000 0.9833 -7.5958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9833 -8.5208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7875 -8.9833 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.5875 -8.5208 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.5875 -7.5958 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1.7875 -7.1292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3875 -8.9833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1875 -8.5208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1875 -7.5958 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.3875 -7.1292 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.9917 -7.1292 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.9917 -6.2042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1875 -5.7417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3875 -6.2042 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.8708 -7.4167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4125 -6.6667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8708 -5.9208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1583 -5.0417 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.5375 -4.3542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0625 -4.8500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6792 -5.5333 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.5833 -5.3417 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.2042 -6.0292 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 4.9917 -8.0583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5875 -5.7417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5875 -6.6667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3250 -9.7833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3958 -6.4167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1875 -6.6667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3875 -8.0583 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2500 -9.7833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5875 -9.4458 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1833 -8.9833 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9167 -6.9083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1083 -5.8375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8583 -6.6833 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.8708 -4.4625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 6 1 1 0 0 0 0 4 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 5 1 0 0 0 0 9 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 14 10 1 0 0 0 0 11 15 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 17 12 2 0 0 0 0 17 18 1 0 0 0 0 18 19 1 6 0 0 0 18 20 1 0 0 0 0 20 21 1 0 0 0 0 21 22 1 0 0 0 0 22 23 1 0 0 0 0 11 24 1 1 0 0 0 14 25 1 1 0 0 0 5 26 1 1 0 0 0 3 27 1 1 0 0 0 21 28 1 1 0 0 0 9 29 1 6 0 0 0 10 30 1 1 0 0 0 3 31 1 6 0 0 0 4 32 1 6 0 0 0 2 33 2 0 0 0 0 23 34 1 0 0 0 0 23 35 1 0 0 0 0 23 36 1 0 0 0 0 22 37 1 1 0 0 0 M END > CFN92542 > Alisol A > 19885-10-0 > 98% > C30H50O5 > 490.7 > White powder > Triterpenoids > Chloroform, Dichloromethane, Ethyl Acetate, DMSO, Acetone, etc. > http://www.chemfaces.com/natural/Alisol-A-CFN92542.html $$$$ -ISIS- 10201511232D 40 43 0 0 0 0 0 0 0 0999 V2000 0.9833 -7.5958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9833 -8.5208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7875 -8.9833 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.5875 -8.5208 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.5875 -7.5958 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1.7875 -7.1292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3875 -8.9833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1875 -8.5208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1875 -7.5958 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.3875 -7.1292 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.9917 -7.1292 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.9917 -6.2042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1875 -5.7417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3875 -6.2042 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.8708 -7.4167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4125 -6.6667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8708 -5.9208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1583 -5.0417 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.5375 -4.3542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0625 -4.8500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6792 -5.5333 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.5833 -5.3417 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.2042 -6.0292 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 4.9917 -8.0583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5875 -5.7417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5875 -6.6667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3250 -9.7833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3958 -6.4167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1875 -6.6667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3875 -8.0583 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2500 -9.7833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5875 -9.4458 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1833 -8.9833 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9167 -6.9083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1083 -5.8375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8583 -6.6833 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.8708 -4.4625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6333 -7.3083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5292 -7.5500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.9792 -7.9625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 6 1 1 0 0 0 0 4 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 5 1 0 0 0 0 9 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 14 10 1 0 0 0 0 11 15 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 17 12 2 0 0 0 0 17 18 1 0 0 0 0 18 19 1 6 0 0 0 18 20 1 0 0 0 0 20 21 1 0 0 0 0 21 22 1 0 0 0 0 22 23 1 0 0 0 0 11 24 1 1 0 0 0 14 25 1 1 0 0 0 5 26 1 1 0 0 0 3 27 1 1 0 0 0 21 28 1 1 0 0 0 9 29 1 6 0 0 0 10 30 1 1 0 0 0 3 31 1 6 0 0 0 4 32 1 6 0 0 0 2 33 2 0 0 0 0 23 34 1 0 0 0 0 23 35 1 0 0 0 0 23 36 1 0 0 0 0 22 37 1 1 0 0 0 28 38 1 0 0 0 0 38 39 2 0 0 0 0 38 40 1 0 0 0 0 M END > CFN92544 > Alisol A 23-acetate > 19865-75-9 > 98% > C32H52O6 > 532.75 > White powder > Triterpenoids > Chloroform, Dichloromethane, Ethyl Acetate, DMSO, Acetone, etc. > http://www.chemfaces.com/natural/Alisol-A-23-acetate-CFN92544.html $$$$ -ISIS- 10201511232D 40 43 0 0 0 0 0 0 0 0999 V2000 0.9875 -8.2250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9875 -9.1500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7917 -9.6125 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.5917 -9.1500 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.5917 -8.2250 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1.7917 -7.7583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3917 -9.6125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1917 -9.1500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1917 -8.2250 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.3917 -7.7583 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.9958 -7.7583 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.9958 -6.8333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1917 -6.3708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3917 -6.8333 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.8750 -8.0458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4167 -7.2958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8750 -6.5500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1625 -5.6708 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.5417 -4.9833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0667 -5.4792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6833 -6.1625 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.5875 -5.9708 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.2083 -6.6583 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 4.9958 -8.6875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5917 -6.3708 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5917 -7.2958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3292 -10.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4000 -7.0458 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1917 -7.2958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3917 -8.6875 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2542 -10.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5917 -10.0750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1875 -9.6125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6375 -7.9375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5333 -8.1792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.9833 -8.5917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9208 -7.5375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1125 -6.4667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8625 -7.3125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.8750 -5.0917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 6 1 1 0 0 0 0 4 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 5 1 0 0 0 0 9 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 14 10 1 0 0 0 0 11 15 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 17 12 2 0 0 0 0 17 18 1 0 0 0 0 18 19 1 6 0 0 0 18 20 1 0 0 0 0 20 21 1 0 0 0 0 21 22 1 0 0 0 0 22 23 1 0 0 0 0 11 24 1 1 0 0 0 14 25 1 1 0 0 0 5 26 1 1 0 0 0 3 27 1 1 0 0 0 21 28 1 1 0 0 0 9 29 1 6 0 0 0 10 30 1 1 0 0 0 3 31 1 6 0 0 0 4 32 1 6 0 0 0 2 33 2 0 0 0 0 28 34 1 0 0 0 0 34 35 2 0 0 0 0 34 36 1 0 0 0 0 23 37 1 0 0 0 0 23 38 1 0 0 0 0 23 39 1 0 0 0 0 22 40 1 6 0 0 0 M END > CFN92546 > Alisol E 23-acetate > 155301-58-9 > 98% > C32H52O6 > 532.8 > Powder > Triterpenoids > Chloroform, Dichloromethane, Ethyl Acetate, DMSO, Acetone, etc. > http://www.chemfaces.com/natural/Alisol-E-23-aceta-CFN92546.html $$$$ -ISIS- 10201511232D 40 43 0 0 0 0 0 0 0 0999 V2000 0.9833 -7.5958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9833 -8.5208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7875 -8.9833 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.5875 -8.5208 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.5875 -7.5958 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1.7875 -7.1292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3875 -8.9833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1875 -8.5208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1875 -7.5958 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.3875 -7.1292 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.9917 -7.1292 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.9917 -6.2042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1875 -5.7417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3875 -6.2042 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.8708 -7.4167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4125 -6.6667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8708 -5.9208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1583 -5.0417 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.5375 -4.3542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0625 -4.8500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6792 -5.5333 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.5833 -5.3417 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.2042 -6.0292 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 4.9917 -8.0583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5875 -5.7417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5875 -6.6667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3250 -9.7833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3958 -6.4167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1875 -6.6667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3875 -8.0583 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2500 -9.7833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5875 -9.4458 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1833 -8.9833 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9167 -6.9083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1083 -5.8375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8583 -6.6833 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.8708 -4.4625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.7750 -4.2708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3958 -4.9583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0625 -3.3917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 6 1 1 0 0 0 0 4 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 5 1 0 0 0 0 9 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 14 10 1 0 0 0 0 11 15 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 17 12 2 0 0 0 0 17 18 1 0 0 0 0 18 19 1 6 0 0 0 18 20 1 0 0 0 0 20 21 1 0 0 0 0 21 22 1 0 0 0 0 22 23 1 0 0 0 0 11 24 1 1 0 0 0 14 25 1 1 0 0 0 5 26 1 1 0 0 0 3 27 1 1 0 0 0 21 28 1 1 0 0 0 9 29 1 6 0 0 0 10 30 1 1 0 0 0 3 31 1 6 0 0 0 4 32 1 6 0 0 0 2 33 2 0 0 0 0 23 34 1 0 0 0 0 23 35 1 0 0 0 0 23 36 1 0 0 0 0 22 37 1 1 0 0 0 37 38 1 0 0 0 0 38 39 1 0 0 0 0 38 40 2 0 0 0 0 M END > CFN90198 > Alisol A 24-acetate > 18674-16-3 > 98% > C32H52O6 > 532.75 > White powder > Triterpenoids > Chloroform, Dichloromethane, Ethyl Acetate, DMSO, Acetone, etc. > http://www.chemfaces.com/natural/Alisol-A-24-acetate-CFN90198.html $$$$ -ISIS- 10201511232D 38 41 0 0 0 0 0 0 0 0999 V2000 1.2083 -8.2250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2083 -9.1500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0125 -9.6125 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.8125 -9.1500 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.8125 -8.2250 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.0125 -7.7583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6125 -9.6125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4125 -9.1500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4125 -8.2250 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.6125 -7.7583 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.2167 -7.7583 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.2167 -6.8333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4125 -6.3708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6125 -6.8333 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.0958 -8.0458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6375 -7.2958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0958 -6.5500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3833 -5.6708 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.7625 -4.9833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2875 -5.4792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9042 -6.1625 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.8083 -5.9708 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.4292 -6.6583 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 5.2167 -8.6875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8125 -6.3708 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8125 -7.2958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5500 -10.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6208 -7.0458 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4125 -7.2958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6125 -8.6875 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4750 -10.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8125 -10.0750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4083 -9.6125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.1417 -7.5375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3333 -6.4667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0958 -5.0917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.0833 -7.3125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.0083 -7.3125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 6 1 1 0 0 0 0 4 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 5 1 0 0 0 0 9 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 14 10 1 0 0 0 0 11 15 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 17 12 2 0 0 0 0 17 18 1 0 0 0 0 18 19 1 6 0 0 0 18 20 1 0 0 0 0 20 21 1 0 0 0 0 21 22 1 0 0 0 0 22 23 1 0 0 0 0 11 24 1 1 0 0 0 14 25 1 1 0 0 0 5 26 1 1 0 0 0 3 27 1 1 0 0 0 21 28 1 1 0 0 0 9 29 1 6 0 0 0 10 30 1 1 0 0 0 3 31 1 6 0 0 0 4 32 1 6 0 0 0 2 33 2 0 0 0 0 23 34 1 0 0 0 0 23 35 1 0 0 0 0 22 36 1 1 0 0 0 23 37 1 0 0 0 0 37 38 1 0 0 0 0 M END > CFN92543 > 25-O-Methylalisol A > 155801-00-6 > 98% > C31H52O5 > 504.7 > Powder > Triterpenoids > Chloroform, Dichloromethane, Ethyl Acetate, DMSO, Acetone, etc. > http://www.chemfaces.com/natural/25-O-Methylalisol-A-CFN92543.html $$$$