基本信息
产品名称 |
3,7,12-三羟基-7-甲基胆烷酸 |
英文名 |
3,7,12-Trihydroxy-7-Methylcholanoic Acid |
别名 |
(4R)-4-[(3R,5S,7R,8R,10S,12S,13R,14S,17R)-3,7,12-Trihydroxy-7,10,13-Trimethyl-1,2,3,4,5,6,8,9,11,12,14,15,16,17-Tetradecahydrocyclopenta[A]Phenanthren-17-Yl]Valeric Acid; 3,7,12-Trihydroxy-7-Methylcholanoic Acid; 7-Methylcholic Acid |
|
分子结构 |
 |
分子式 |
C25H42O5 |
分子量 |
422.60 |
CAS 登录号 |
102362-49-2 |
分子行输入简码 SMILES |
[C@@]14([C@@H](CC[C@@H]1[C@@H](CCC(O)=O)C)[C@@H]3[C@@](C[C@@H]2C[C@@H](CC[C@@]2(C3C[C@@H]4O)C)O)(O)C)C |
国际化学标识码 InChI |
1S/C25H42O5/c1-14(5-8-21(28)29)17-6-7-18-22-19(12-20(27)25(17,18)4)23(2)10-9-16(26)11-15(23)13-24(22,3)30/h14-20,22,26-27,30H,5-13H2,1-4H3,(H,28,29)/t14-,15+,16-,17-,18+,19?,20+,22+,23+,24-,25-/m1/s1 |
国际化学标识检索码 InChIKey |
YSLVYCWXAPPBIQ-HQQQGJIFSA-N |
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