Identification
| Name |
Apocholic Acid |
| Synonyms |
(4R)-4-[(3R,5R,9R,10S,12S,13R,17R)-3,12-Dihydroxy-10,13-Dimethyl-2,3,4,5,6,7,9,11,12,15,16,17-Dodecahydro-1H-Cyclopenta[A]Phenanthren-17-Yl]Valeric Acid; 3-Alpha,12-Alpha-Dihydroxy-5-Beta-Chol-8(14)-En-24-Oic Acid; 4-10-00-01817 (Beilstein Handbook Reference) |
|
| Molecular Structure |
 |
| Molecular Formula |
C24H38O4 |
| Molecular Weight |
390.56 |
| CAS Registry Number |
641-81-6 |
| SMILES |
[C@@H]13[C@@]4([C@H](CCC1=C2[C@@]([C@H](CC2)[C@@H](CCC(=O)O)C)([C@@H](O)C3)C)C[C@H](O)CC4)C |
| InChI |
1S/C24H38O4/c1-14(4-9-22(27)28)18-7-8-19-17-6-5-15-12-16(25)10-11-23(15,2)20(17)13-21(26)24(18,19)3/h14-16,18,20-21,25-26H,4-13H2,1-3H3,(H,27,28)/t14-,15-,16-,18-,20+,21+,23+,24-/m1/s1 |
| InChIKey |
XWJTYEGVQBFZHI-IMPNNSMHSA-N |
|