Mol:
1275535-67-5.mol by:chem960.com
ChemDraw08031019472D
…………
749 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.4845 -2.7340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.6580 -1.7861 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
11.2854 -2.6676 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
12.1806 -3.1835 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
12.1719 -4.2448 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
11.2758 -4.7496 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9551 -0.9732 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8067 -1.4592 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.0904 -1.2258 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.0183 -0.2700 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
7.9283 -1.7234 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3557 -5.6686 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.4212 -3.6800 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.3005 -5.1533 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0 0 0 0
1 26 1 1 0 0 0
2 3 1 0 0 0 0
3 4 1 0 0 0 0
4 5 1 0 0 0 0
4 6 1 0 0 0 0
6 7 1 0 0 0 0
8 9 1 0 0 0 0
8 4 1 0 0 0 0
10 7 1 0 0 0 0
10 11 1 1 0 0 0
10 12 1 0 0 0 0
12 13 1 0 0 0 0
12 43 1 6 0 0 0
14 15 1 0 0 0 0
14 27 1 1 0 0 0
14 12 1 0 0 0 0
15 16 1 1 0 0 0
17 18 1 0 0 0 0
17 20 1 1 0 0 0
17 15 1 0 0 0 0
18 19 1 0 0 0 0
19 31 1 0 0 0 0
21 22 1 0 0 0 0
21 23 1 0 0 0 0
21 17 1 0 0 0 0
23 42 1 6 0 0 0
23 24 1 0 0 0 0
24 25 1 0 0 0 0
24 14 1 0 0 0 0
24 44 1 6 0 0 0
25 1 1 0 0 0 0
25 8 1 0 0 0 0
27 28 1 0 0 0 0
29 30 2 0 0 0 0
29 36 1 0 0 0 0
30 31 1 0 0 0 0
30 33 1 0 0 0 0
31 32 2 0 0 0 0
33 34 2 0 0 0 0
35 34 1 0 0 0 0
36 35 2 0 0 0 0
37 38 1 0 0 0 0
38 7 1 0 0 0 0
39 16 1 0 0 0 0
39 41 1 0 0 0 0
40 39 2 0 0 0 0
10 25 1 0 0 0 0
8 43 1 6 0 0 0
21 28 1 1 0 0 0
M END
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Aconicarchamine B Smile 编码:
[C@H]1(C23[C@]4([C@@]([C@]56[C@@]2([H])[C@@H](O)[C@](CC5)([C@@]([C@@H]6OC(=O)C)(O)COC(=O)C2C=CC=CC=2)[H])(C[C@]3(C(CN4CC)(C)CC1)[H])[H])[H])O
Aconicarchamine B InChi 编码:
Aconicarchamine B InChiKey 编码:
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Aconicarchamine B
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