Mol:
81907-61-1.mol by:chem960.com
ChemDraw08031019472D
…………
0 0 0 0
-3.4635 -6.6227 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.8901 -7.0863 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.0048 -6.0826 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.4314 -6.5461 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-8.5461 -5.5424 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-9.9727 -6.0059 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-10.2846 -7.4731 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-11.7112 -7.9367 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-9.1699 -8.4768 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-11.0874 -5.0022 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.7433 -8.0133 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.2020 -8.5535 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2500 -7.5044 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0365 -6.6227 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3901 -7.0863 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2 1 1 1
2 3 1 0
3 4 2 0
4 5 1 0
5 6 1 6
5 7 1 0
7 8 1 6
8 9 1 0
9 10 1 6
7 11 1 0
11 12 1 0
11 13 1 0
11 14 1 0
14 15 1 6
14 16 1 0
16 17 1 0
4 18 1 0
18 19 2 0
18 20 1 0
20 21 1 0
21 22 1 6
21 23 1 0
23 24 1 0
24 25 1 0
25 26 1 0
26 27 1 0
27 28 1 0
28 29 1 0
29 30 1 0
29 31 2 0
28 32 1 6
26 33 2 0
24 34 1 6
23 35 1 6
35 36 1 0
36 37 2 0
21 2 1 0
36 2 1 0
9 3 1 0
17 5 1 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。
灵芝酸 B MDL: MFCD09752803
灵芝酸 B InChIKey: LWPLEHFGBRFRKI-NBCWKOIPSA-N
灵芝酸 B Inchi: 1S/C30H44O7/c1-15(10-17(31)11-16(2)26(36)37)18-12-23(35)30(7)25-19(32)13-21-27(3,4)22(34)8-9-28(21,5)24(25)20(33)14-29(18,30)6/h15-16,18-19,21-22,32,34H,8-14H2,1-7H3,(H,36,37)/t15-,16-,18-,19+,21+,22+,28+,29-,30+/m1/s1
灵芝酸 B SMILES: C[C@@]12C(=O)C[C@H]([C@H](C)CC(=O)C[C@@H](C)C(=O)O)[C@@]1(C)CC(=O)C1[C@]3(CC[C@H](O)C(C)(C)[C@@H]3C[C@@H](C2=1)O)C