17-Deoxycortolonic acid
2-hydroxy-2-[(3R,5R,8S,9S,10S,13S,14S,17S)-3-hydroxy-10,13-dimethyl-11-oxo-1,2,3,4,5,6,7,8,9,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]acetic acid
Also Known As: 17-Deoxycortolonic acid|KST-1A7321|3,20-Dihydroxy-11-oxopregnan-21-oic acid|(3|A,5|A)-3,20-dihydroxy-11-oxopregnan-21-oic acid|3alpha,20-Dihydroxy-11-oxo-5beta-pregnan-21-oic acid|3 alpha,20-dihydroxy-11-oxo-5 beta-pregnan-21-oic acid|Pregnan-21-oic acid, 3,20-dihydroxy-11-oxo-, (3alpha,5beta,20S)-|2-hydroxy-2-[(3R,5R,8S,9S,10S,13S,14S,17S)-3-hydroxy-10,13-dimethyl-11-oxo-1,2,3,4,5,6,7,8,9,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]acetic acid
| Molecular Formula | C21H32O5 |
|---|---|
| Molecular Weight | 364.22498 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 94.8 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 364.22498 |
| Monoisotopic Mass | 364.22498 |
| Heavy Atoms | 26 |
| Complexity | 618.0 |
Chemical Identifiers
| CAS Number | 6641-78-7 |
|---|---|
| SMILES | C[C@]12CC[C@H](C[C@H]1CC[C@@H]3[C@@H]2C(=O)C[C@]4([C@H]3CC[C@@H]4C(C(=O)O)O)C)O |
| InChIKey | AZHUSSGWDVTGEL-PLBLQAHQSA-N |
Product Overview
17-Deoxycortolonic acid (CAS 6641-78-7), with molecular formula C21H32O5 and molecular weight 364.22498 g/mol. IUPAC: 2-hydroxy-2-[(3R,5R,8S,9S,10S,13S,14S,17S)-3-hydroxy-10,13-dimethyl-11-oxo-1,2,3,4,5,6,7,8,9,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]acetic acid.
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