(20S)-17,20,21-Trihydroxypregn-4-en-3-one
(8R,9S,10R,13S,14S,17R)-17-[(1S)-1,2-dihydroxyethyl]-17-hydroxy-10,13-dimethyl-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-3-one
Also Known As: (20S)-17,20,21-Trihydroxypregn-4-en-3-one|KST-1A0067|EINECS 223-536-9|17,20,21-THP|4-Pregnen-17alpha,20alpha,21-triol-3-one|17,20beta,21-Trihydroxypregna-4-ene-3-one|17,20beta,21beta-Trihydroxy-4-pregnen-3-one|17,20beta,21beta-Trihydroxypregna-4-ene-3-one|17alpha,20beta,21-Trihydroxy-4-pregnen-3-one|17-alpha, 20-beta, 21-trihydroxypreg-4-en-3-one|(8R,9S,10R,13S,14S,17R)-17-[(1S)-1,2-dihydroxyethyl]-17-hydroxy-10,13-dimethyl-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-3-one|(1R,3aS,3bR,9aR,9bS,11aS)-1-[(1S)-1,2-dihydroxyethyl]-1-hydroxy-9a,11a-dimethyl-1H,2H,3H,3aH,3bH,4H,5H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-7-one
| Molecular Formula | C21H32O4 |
|---|---|
| Molecular Weight | 348.23007 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 77.76 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 348.23007 |
| Heavy Atoms | 25 |
| Complexity | 613.0 |
Chemical Identifiers
| CAS Number | 3946-10-9 |
|---|---|
| SMILES | C[C@]12CCC(=O)C=C1CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CC[C@@]4([C@H](CO)O)O)C |
Product Overview
(20S)-17,20,21-Trihydroxypregn-4-en-3-one (CAS 3946-10-9), with molecular formula C21H32O4 and molecular weight 348.23007 g/mol. IUPAC: (8R,9S,10R,13S,14S,17R)-17-[(1S)-1,2-dihydroxyethyl]-17-hydroxy-10,13-dimethyl-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-3-one.
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