| Phytochemical Name : 5beta-Cholanic acid |
| PCNDIDOT0942 |
| Pubchem CID : 92803 |
| Molecular formula: C24H40O2 |
| Canonical SMILES : CC(CCC(=O)O)C1CCC2C1(CCC3C2CCC4C3(CCCC4)C)C |
Synonymes : 5beta-Cholanic acid|Ursocholanic acid|546-18-9|5beta-Cholanoic acid|5beta-Cholan-24-oic acid|Cholanoic acid|5|A-Cholanic acid|5-Beta-Cholanic Acid|Cholanic acid, (5beta)-|5.beta.-Cholanic acid|5.beta.-Cholanoic acid|5BETA-CHOLANICACID|UNII-970EKW2JTO|970EKW2JTO|5.beta.-Cholan-24-oic acid|CHEMBL429432|(4R)-4-[(5S,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|CHEBI:36238|NSC 18161|NSC-18161|L 596205-0|Androstane-17-butanoic acid, gamma-methyl-, (5beta,17beta)-|Cholan-24-oic acid, (5.beta.)-|(5beta)-cholanic acid|SCHEMBL190520|(5beta)-cholan-24-oic acid|Cholan-24-oic acid, (5beta)-|CHOLANIC ACID, 5.BETA.-|DTXSID501021288|NSC18161|BDBM50375584|LMST04010441|CHOLANIC ACID, (5.BETA.)-|HY-W127512|Cholan-24-oic acid, (5beta)- (9CI)|MS-25712|CS-0185740|C19642|Androstane-17-butanoic acid, (5.beta.,17.beta.)-|Q27116759|(5beta,17beta)-gamma-methylandrostane-17-butanoic acid|L-596205-0 |
| Structure | |
| 3D structure | 2D structure |
 |
| Log Po/w (iLOGP) : 3.730 |
| Log Po/w (XLOGP3) : 6.140 |
| Log Po/w (WLOGP) : 6.540 |
| Log Po/w (MLOGP) : 5.610 |
| Log Po/w (SILICOS-IT) : 5.200 |
| Consensus Log Po/w : 5.440 |