Cholanic acid
(4R)-4-[(8R,9S,10S,13R,14S,17R)-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic acid
Also Known As: Cholanic acid|Cholan-24-oic acid|Cholanoic acid|colanicacid|Ursocholanic acid|Colanic acid|CholansA currencyure|CHOLANICACID|5.beta.-Cholanic acid|5.beta.-Cholanoic acid|5 beta-cholan-24-oic acid|CHOLANIC ACID [MI]|5.beta.-Cholan-24-oic acid|EINECS 246-816-2|Cholan-24-oic acid, (5.beta.)-|L 596205-0|PENTANOIC ACID, 4-((17.BETA.)-ANDROSTAN-17-YL)-|(4R)-4-[(8R,9S,10S,13R,14S,17R)-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic acid|Androstane-17-butanoic acid, .gamma.-methyl-, (5.beta.,17.beta.)-|URSOCHOLANIC ACID, 17.BETA.-(1-METHYL-3-CARBOXYPROPYL)ETIOCHOLANE|(4R)-4-[(1R,3aS,3bR,9aS,9bS,11aR)-9a,11a-dimethyl-hexadecahydro-1H-cyclopenta[a]phenanthren-1-yl]pentanoic acid|246-816-2
| Molecular Formula | C24H40O2 |
|---|---|
| Molecular Weight | 360.30283 g/mol |
| LogP | 6.5363 |
| Topological Polar Surface Area | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 4 |
| Exact Mass | 360.30283 |
| Monoisotopic Mass | 360.30283 |
| Heavy Atoms | 26 |
| Complexity | 542.32874 |
Chemical Identifiers
| CAS Number | 9012-87-7 |
|---|---|
| SMILES | C[C@H](CCC(=O)O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CCC4[C@@]3(CCCC4)C)C |
Product Overview
Cholanic acid (CAS 9012-87-7), with molecular formula C24H40O2 and molecular weight 360.30283 g/mol. IUPAC: (4R)-4-[(8R,9S,10S,13R,14S,17R)-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic acid.
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