-ISIS- 05031710462D
77 82 0 0 0 0 0 0 0 0999 V2000
12.4958 -6.0750 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
12.4958 -6.8917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
13.2083 -7.2958 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
13.9208 -6.8917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
13.9208 -6.0750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
13.2083 -5.6667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
11.7917 -7.2958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
11.7917 -5.6667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
13.2083 -8.1208 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
11.0792 -6.8917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
11.0792 -6.0750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.3750 -5.6667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
9.6667 -6.0750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.6708 -6.7833 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
13.2083 -4.8500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
12.4958 -4.4375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
13.9208 -4.4375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
12.4958 -8.5250 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
11.7917 -8.1208 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
11.0792 -8.5250 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
11.0792 -9.3500 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
11.7917 -9.7583 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
12.4958 -9.3500 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
13.2083 -9.7583 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
11.7917 -10.5750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
10.3750 -9.7583 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
10.3750 -8.1208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.6667 -8.5250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
12.4958 -5.2542 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
14.6292 -4.8500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.9542 -5.6667 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
8.9542 -4.8458 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
8.2417 -4.4375 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
7.5333 -4.8458 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
7.5333 -5.6667 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
8.2417 -6.0750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6.8208 -6.0750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6.8208 -4.4292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
8.2417 -3.6167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
9.6583 -4.4292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6.8208 -6.8875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.1167 -4.8417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4083 -4.4292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.7000 -4.8333 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
3.9958 -4.4250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2833 -4.8333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2833 -5.6542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.9958 -6.0708 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
4.7000 -5.6542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4083 -6.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.1167 -5.6542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.5250 -5.5500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.7042 -4.0208 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.9958 -3.6042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.7042 -3.2042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.2875 -3.1958 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.5833 -3.6042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9958 -6.8833 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.2875 -7.2917 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
2.5792 -6.8875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.8708 -7.2917 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
1.8708 -8.1125 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
2.5792 -8.5208 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
3.2875 -8.1125 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
2.5792 -9.3333 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.1667 -6.8875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4583 -7.2917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.9958 -8.5208 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.1667 -8.5208 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6.1125 -7.2958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.1125 -8.1167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4042 -8.5250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4042 -9.3458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.1125 -9.7542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.8208 -9.3458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.8208 -8.5250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.1125 -10.5750 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 2 0 0 0 0
6 1 1 0 0 0 0
2 7 2 0 0 0 0
1 8 1 0 0 0 0
3 9 1 1 0 0 0
7 10 1 0 0 0 0
8 11 1 0 0 0 0
11 12 1 0 0 0 0
12 13 1 0 0 0 0
11 14 2 0 0 0 0
6 15 1 0 0 0 0
15 16 2 0 0 0 0
15 17 1 0 0 0 0
18 9 1 1 0 0 0
18 19 1 0 0 0 0
19 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 18 1 0 0 0 0
23 24 1 6 0 0 0
22 25 1 1 0 0 0
21 26 1 6 0 0 0
20 27 1 1 0 0 0
27 28 1 0 0 0 0
1 29 1 1 0 0 0
17 30 1 0 0 0 0
31 13 1 1 0 0 0
31 32 1 0 0 0 0
32 33 1 0 0 0 0
33 34 1 0 0 0 0
34 35 1 0 0 0 0
35 36 1 0 0 0 0
36 31 1 0 0 0 0
35 37 1 1 0 0 0
34 38 1 6 0 0 0
33 39 1 1 0 0 0
32 40 1 6 0 0 0
37 41 1 0 0 0 0
38 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 46 2 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
49 50 2 0 0 0 0
50 51 1 0 0 0 0
42 52 2 0 0 0 0
44 53 1 6 0 0 0
45 54 1 0 0 0 0
54 55 2 0 0 0 0
54 56 1 0 0 0 0
56 57 1 0 0 0 0
48 58 1 6 0 0 0
59 58 1 1 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 64 1 0 0 0 0
64 59 1 0 0 0 0
63 65 1 1 0 0 0
61 66 1 1 0 0 0
66 67 1 0 0 0 0
64 68 1 6 0 0 0
62 69 1 6 0 0 0
70 41 1 0 0 0 0
71 70 1 0 0 0 0
72 71 2 0 0 0 0
72 73 1 0 0 0 0
73 74 2 0 0 0 0
74 75 1 0 0 0 0
75 76 2 0 0 0 0
76 71 1 0 0 0 0
74 77 1 0 0 0 0
M END
> <Catalog No.>
CFN99228
> <Name>
Oleonuezhenide
> <CAS Number>
112693-21-7
> <Purity>
98%
> <Formula>
C48H64O27
> <Mol Weight>
1073.0
> <Physical Description>
Powder
> <Type of Compound>
Iridoids
> <Solvent>
Pyridine, Methanol, Ethanol, etc.
> <WebLink>
http://www.chemfaces.com/natural/Oleonuezhenide-CFN99228.html
$$$$