-ISIS- 05031710462D 70 77 0 0 0 0 0 0 0 0999 V2000 1.7250 -6.3792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7250 -7.1500 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.3958 -7.5333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0625 -7.1500 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.0625 -6.3792 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.3958 -5.9917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7292 -7.5333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4000 -7.1500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4000 -6.3792 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.7292 -5.9917 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.0708 -5.9917 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.0708 -5.2208 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.4000 -4.8333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7292 -5.2208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7375 -4.8333 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.4042 -5.2208 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.4042 -5.9917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7375 -4.0625 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.0750 -4.8333 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0750 -4.0625 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 5.1917 -3.5125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0625 -7.9208 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0625 -5.6042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4000 -5.6042 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0708 -4.4458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0750 -3.2875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7417 -3.6750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4125 -4.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0833 -3.6750 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.7542 -4.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0833 -2.9000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4208 -3.6750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7292 -6.7625 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0708 -6.7625 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7375 -5.6042 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4042 -4.4458 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0875 -4.0625 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.0875 -4.8333 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.7583 -5.2208 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.4250 -4.8333 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.4250 -4.0625 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.7583 -3.6708 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.0958 -3.6750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7583 -5.9917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.4208 -5.2208 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.0958 -5.2208 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.7667 -4.0625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0542 -7.5333 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3875 -7.1500 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 0.3875 -6.3792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2833 -5.9917 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.9542 -6.3792 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.9542 -7.1500 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.2833 -7.5333 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.2833 -5.2208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6167 -7.5333 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6167 -5.9917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2833 -8.3083 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9542 -4.8333 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9542 -8.6917 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.6167 -8.3083 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2875 -8.6917 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.2875 -9.4667 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.6167 -9.8500 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.9542 -9.4667 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.9583 -8.3083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6167 -10.6208 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9583 -9.8500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2833 -9.8500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6250 -8.6917 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 12 15 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 11 17 1 0 0 0 0 15 18 1 0 0 0 0 16 19 1 0 0 0 0 19 20 1 0 0 0 0 18 20 1 0 0 0 0 18 21 1 6 0 0 0 4 22 1 1 0 0 0 5 23 1 1 0 0 0 9 24 1 1 0 0 0 12 25 1 1 0 0 0 20 26 1 0 0 0 0 20 27 1 0 0 0 0 27 28 1 0 0 0 0 28 29 1 0 0 0 0 29 30 1 0 0 0 0 29 31 1 6 0 0 0 30 32 1 0 0 0 0 10 33 1 6 0 0 0 11 34 1 6 0 0 0 15 35 1 6 0 0 0 16 36 1 6 0 0 0 37 32 1 6 0 0 0 37 38 1 0 0 0 0 38 39 1 0 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 37 1 0 0 0 0 41 43 1 6 0 0 0 39 44 1 6 0 0 0 38 45 1 1 0 0 0 40 46 1 1 0 0 0 43 47 1 0 0 0 0 2 48 1 1 0 0 0 49 48 1 1 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 54 1 0 0 0 0 54 49 1 0 0 0 0 51 55 1 1 0 0 0 53 56 1 1 0 0 0 52 57 1 6 0 0 0 54 58 1 6 0 0 0 55 59 1 0 0 0 0 60 58 1 1 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 64 1 0 0 0 0 64 65 1 0 0 0 0 65 60 1 0 0 0 0 62 66 1 1 0 0 0 64 67 1 1 0 0 0 63 68 1 6 0 0 0 65 69 1 6 0 0 0 66 70 1 0 0 0 0 M END > CFN90692 > Officinalisinin I > 57944-18-0 > 98% > C45H76O19 > 921.07 > Powder > Steroids > Pyridine, Methanol, Ethanol, etc. > http://www.chemfaces.com/natural/Officinalisinin-I-CFN90692.html $$$$