Identification
Classification |
API >> Digestive system medication >> Biliary medicine |
Name |
3beta-Hydroxy-delta5-Cholenic Acid |
Synonyms |
(4R)-4-[(3S,8S,9S,10R,13R,14S,17R)-3-Hydroxy-10,13-Dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-Dodecahydro-1H-Cyclopenta[A]Phenanthren-17-Yl]Valeric Acid; 3Beta-Hydroxy-5-Cholenic Acid; 3Beta-Hydroxy-5-Cholenoic Acid |
|
Molecular Structure |
 |
Molecular Formula |
C24H38O3 |
Molecular Weight |
374.56 |
CAS Registry Number |
5255-17-4 |
SMILES |
[C@@]14(C)[C@H]([C@H]2[C@H](CC1)[C@]3(C)C(=CC2)C[C@H](CC3)O)CC[C@@H]4[C@@H](CCC(=O)O)C |
InChI |
1S/C24H38O3/c1-15(4-9-22(26)27)19-7-8-20-18-6-5-16-14-17(25)10-12-23(16,2)21(18)11-13-24(19,20)3/h5,15,17-21,25H,4,6-14H2,1-3H3,(H,26,27)/t15-,17+,18+,19-,20+,21+,23+,24-/m1/s1 |
InChIKey |
HIAJCGFYHIANNA-QIZZZRFXSA-N |
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