20-Hydroxy-3-oxo-4-pregnen-21-carboxylic acid
(2R)-2-[(8S,9S,10R,13S,14S,17S)-10,13-dimethyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]-2-hydroxyacetic acid
Also Known As: Pregnolic acid|20-Hydroxy-3-keto-4-pregnen-21-oic acid|KST-1A3792|20-R-Hydroxy-3-oxo-4-pregnen-21-oic acid|(20r)-20-hydroxy-3-oxopregn-4-en-21-oic acid|20-Hydroxy-3-oxo-4-pregnen-21-carboxylic acid|20-Hydroxy-3-oxopregn-4-en-21-oic acid|Pregn-4-en-21-oic acid, 20-hydroxy-3-oxo-, (20R)-|Pregn-4-en-21-oic acid,20-hydroxy-3-oxo-, (20R)- (9CI)|(2R)-2-[(8S,9S,10R,13S,14S,17S)-10,13-dimethyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]-2-hydroxyacetic acid
| Molecular Formula | C21H30O4 |
|---|---|
| Molecular Weight | 346.21442 g/mol |
| LogP | 3.4 |
| Topological Polar Surface Area | 74.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 346.21442 |
| Monoisotopic Mass | 346.21442 |
| Heavy Atoms | 25 |
| Complexity | 638.0 |
Chemical Identifiers
| CAS Number | 32306-30-2 |
|---|---|
| SMILES | C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2[C@H](C(=O)O)O)CCC4=CC(=O)CC[C@]34C |
| InChIKey | IOLANHYQSJTGAC-WGKOQXAXSA-N |
Product Overview
20-Hydroxy-3-oxo-4-pregnen-21-carboxylic acid (CAS 32306-30-2), with molecular formula C21H30O4 and molecular weight 346.21442 g/mol. IUPAC: (2R)-2-[(8S,9S,10R,13S,14S,17S)-10,13-dimethyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]-2-hydroxyacetic acid.