Nordeoxycholic acid
3-(3,12-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl)butanoic acid
Also Known As: Nordeoxycholic acid|Nor-Desoxycholic Acid|23-Nordeoxycholic acid|NOR-DEOXYCHOLIC ACID|3,12-Dihydroxy-nor-cholanic Acid|(3R)-3-[(3R,5R,8R,9S,10S,12S,13R,14S,17R)-3,12-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]butanoic acid|3-(3,12-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl)butanoic acid
| Molecular Formula | C23H38O4 |
|---|---|
| Molecular Weight | 378.277 g/mol |
| LogP | 4.6 |
| Topological Polar Surface Area | 77.8 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 378.277 |
| Monoisotopic Mass | 378.277 |
| Heavy Atoms | 27 |
| Complexity | 591.0 |
Chemical Identifiers
| CAS Number | 53608-86-9 |
|---|---|
| SMILES | CC(CC(=O)O)C1CCC2C1(C(CC3C2CCC4C3(CCC(C4)O)C)O)C |
| InChIKey | PLRQOCVIINWCFA-UHFFFAOYSA-N |
Product Overview
Nordeoxycholic acid (CAS 53608-86-9), with molecular formula C23H38O4 and molecular weight 378.277 g/mol. IUPAC: 3-(3,12-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl)butanoic acid.
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