Cholenic acid
(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]pentanoic acid
Also Known As: Cholenic acid|3b-hydroxy-5-cholenoic acid|3beta-Hydroxy-delta5-cholenic acid|Cholenate|D5-Cholenate|3beta-Hydroxy-5-cholenic acid|D5-Cholenic acid|3beta-Hydroxy-5-cholenoic acid|5-cholenic acid-3B-ol|3b-Hydroxycholenoate|Delta5-Cholenic acid|cholenicithocholic acid|3b-Hydroxycholenoic acid|3b-Hydroxy-5-cholenoate|3b-Hydroxychol-5-enoate|5-Cholenic acid-3beta-ol|3beta-Hydroxycholenoic acid|3beta-Hydroxy-5-cholenoate|3beta-Hydroxychol-5-en-24-oic acid|3?-Hydroxy-5-cholenic acid|3b-Hydroxychol-5-enoic acid|5-Cholenic acid-3.beta.-ol|3b-Hydroxychol-5-en-24-ate|_-Hydroxy-5-Cholenic Acid|3b-Hydroxychol-5-en-24-oate|3 beta-hydroxy-5-cholenic acid|3 beta-hydroxy-5-cholenoic acid|3b-hydroxy-chol-5-en-24-oate|3beta-Hydroxy-chol-5-en-24-oic Acid|MSK2654|3beta-Hydroxychol-5-en-24-oate|Delta5-3beta-Hydroxycholenic acid|Hydroxy-5-cholenic acid, 3beta-|3b-Hydroxychol-5-en-24-ic acid|3-.beta.-Hydroxy-5-cholenic acid
| Molecular Formula | C24H38O3 |
|---|---|
| Molecular Weight | 374.2821 g/mol |
| LogP | 5.43 |
| Topological Polar Surface Area | 57.53 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 374.2821 |
| Heavy Atoms | 27 |
| Complexity | 625.1 |
Chemical Identifiers
| CAS Number | 5255-17-4 |
|---|---|
| SMILES | C[C@H](CCC(=O)O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)O)C)C |
Product Overview
Cholenic acid (CAS 5255-17-4), with molecular formula C24H38O3 and molecular weight 374.2821 g/mol. IUPAC: (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]pentanoic acid.
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