11,20-Dihydroxy-4-pregnene-3-one-21-oic acid
(2S)-2-hydroxy-2-[(8S,9S,10R,11S,13S,14S,17S)-11-hydroxy-10,13-dimethyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]acetic acid
Also Known As: Dioh-4-poa|11,20-Dihydroxy-4-pregnene-3-one-21-oic acid|KST-1A3834|11,20-dihydroxy-4-pregnene-3-one-21-oicacid|11beta,20 beta-Dihydroxy-4-pregnene-3-one-21-oic acid|(11|A,20s)-11,20-dihydroxy-3-oxopregn-4-en-21-oic acid|(2S)-2-hydroxy-2-[(8S,9S,10R,11S,13S,14S,17S)-11-hydroxy-10,13-dimethyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]acetic acid|11beta,20beta-Dihydroxy-3-oxopregn-4-en-21-oic acid|(20S)-11beta,20-Dihydroxy-3-oxopregn-4-en-21-oic acid
| Molecular Formula | C21H30O5 |
|---|---|
| Molecular Weight | 362.20932 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 94.8 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 362.20932 |
| Monoisotopic Mass | 362.20932 |
| Heavy Atoms | 26 |
| Complexity | 669.0 |
Chemical Identifiers
| CAS Number | 32808-63-2 |
|---|---|
| SMILES | C[C@]12CCC(=O)C=C1CC[C@@H]3[C@@H]2[C@H](C[C@]4([C@H]3CC[C@@H]4[C@@H](C(=O)O)O)C)O |
| InChIKey | NCZRCNAAHNGILW-CPZQJQDXSA-N |
Product Overview
11,20-Dihydroxy-4-pregnene-3-one-21-oic acid (CAS 32808-63-2), with molecular formula C21H30O5 and molecular weight 362.20932 g/mol. IUPAC: (2S)-2-hydroxy-2-[(8S,9S,10R,11S,13S,14S,17S)-11-hydroxy-10,13-dimethyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]acetic acid.