17,21-Dihydroxy-5beta-pregnane-3,20-dione
(5R,8R,9S,10S,13S,14S,17R)-17-hydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-2,4,5,6,7,8,9,11,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthren-3-one
Also Known As: DIHYDRO-11-DESOXYCORTISOL|5-BETA-PREGNAN-17,21-DIOL-3,20-DIONE|17,21-Dihydroxypregnane-3,20-dione|17,21-Dihydroxy-5beta-pregnane-3,20-dione|J2.146.829K|Pregnane-3, 17,21-dihydroxy-, (5.beta.)-|5-|A-PREGNAN-17,21-DIOL-3,20-DIONE|pregnane-3,20-dione, 17,21-dihydroxy-,(5|A)-|(5R,8R,9S,10S,13S,14S,17R)-17-hydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-2,4,5,6,7,8,9,11,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthren-3-one|(1R,3aS,3bR,5aR,9aS,9bS,11aS)-1-hydroxy-1-(2-hydroxyacetyl)-9a,11a-dimethyl-hexadecahydro-1H-cyclopenta[a]phenanthren-7-one
| Molecular Formula | C21H32O4 |
|---|---|
| Molecular Weight | 348.23007 g/mol |
| LogP | 3.2 |
| Topological Polar Surface Area | 74.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 348.23007 |
| Monoisotopic Mass | 348.23007 |
| Heavy Atoms | 25 |
| Complexity | 601.0 |
Chemical Identifiers
| CAS Number | 5705-34-0 |
|---|---|
| SMILES | C[C@]12CCC(=O)C[C@H]1CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CC[C@@]4(C(=O)CO)O)C |
| InChIKey | WNIBSYGPDJBVOA-BRRPRDELSA-N |
Product Overview
17,21-Dihydroxy-5beta-pregnane-3,20-dione (CAS 5705-34-0), with molecular formula C21H32O4 and molecular weight 348.23007 g/mol. IUPAC: (5R,8R,9S,10S,13S,14S,17R)-17-hydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-2,4,5,6,7,8,9,11,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthren-3-one.