Mol:
15291-75-5.mol by:chem960.com
ChemDraw08031019472D
…………
0 0 0 0 0 0 0 0 0 0
7.6600 5.1800 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.1532 4.6949 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.0625 3.6865 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7633 2.7645 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.4932 3.6873 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0000 3.2021 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.9783 5.1805 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0555 6.4506 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.3333 2.7630 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1 2 2 0 0 0 0
2 3 1 0 0 0 0
3 4 1 0 0 0 0
3 5 1 0 0 0 0
5 6 1 0 0 0 0
5 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
10 11 1 0 0 0 0
11 2 1 0 0 0 0
8 12 1 0 0 0 0
12 13 1 0 0 0 0
13 14 1 0 0 0 0
14 15 1 0 0 0 0
14 16 1 0 0 0 0
14 17 1 0 0 0 0
13 18 1 0 0 0 0
18 19 1 0 0 0 0
19 8 1 0 0 0 0
19 20 1 0 0 0 0
20 21 1 0 0 0 0
21 7 1 0 0 0 0
21 22 2 0 0 0 0
12 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
25 27 1 0 0 0 0
27 12 1 0 0 0 0
27 28 1 0 0 0 0
23 29 1 0 0 0 0
29 7 1 0 0 0 0
M END
如需查看或获取完整mol文件,请关注官方微信公众号(微信搜一搜:Chem960),回复CAS号+“mol”(如回复:98-98-6 mol)免费获取。
银杏内酯A MDL: MFCD07437829
银杏内酯A InChIKey: FPUXKXIZEIDQKW-WDLLEOQQSA-N
银杏内酯A Inchi: 1S/C20H24O9/c1-7-12(22)26-10-6-17-9-5-8(16(2,3)4)18(17)11(21)13(23)28-15(18)29-20(17,14(24)27-9)19(7,10)25/h7-11,15,21,25H,5-6H2,1-4H3/t7-,8+,9-,10+,11+,15+,17-,18-,19-,20-/m1/s1
银杏内酯A SMILES: O1[C@@]2([H])[C@]3([C@]([H])(C(=O)O2)O[H])[C@]([H])(C(C([H])([H])[H])(C([H])([H])[H])C([H])([H])[H])C([H])([H])[C@]2([H])[C@@]43C([H])([H])[C@@]3([H])[C@]([C@]([H])(C([H])([H])[H])C(=O)O3)([C@]14C(=O)O2)O[H]