chenodeoxycholic acid
(4R)-4-[(3R,5S,7R,8R,9S,10S,13R,14S,17R)-3,7-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]pentanoic acid
| Molecular Formula | C24H40O4 |
|---|---|
| Molecular Weight | 392.6 g/mol |
| LogP | 4.9 |
| Topological Polar Surface Area | 77.8 A2 |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 392.29266 |
| Heavy Atoms | 28 |
| Complexity | 605.0 |
Chemical Identifiers
| CAS Number | 474-25-9 |
|---|---|
| SMILES | CC(CCC(=O)O)C1CCC2C1(CCC3C2C(CC4C3(CCC(C4)O)C)O)C |
| InChIKey | RUDATBOHQWOJDD-BSWAIDMHSA-N |
📖 Product Overview
chenodeoxycholic acid (CAS: 474-25-9) is a chemical compound with molecular formula C24H40O4 and molecular weight 392.6 g/mol. Its IUPAC systematic name is (4R)-4-[(3R,5S,7R,8R,9S,10S,13R,14S,17R)-3,7-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]pentanoic acid.
RUDATBOHQWOJDD-BSWAIDMHSA-N.
SMILES: CC(CCC(=O)O)C1CCC2C1(CCC3C2C(CC4C3(CCC(C4)O)C)O)C.
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