5alpha-Pregnane-3beta,11beta,20beta,21-tetrol
(3S,5S,8S,9S,10S,11S,13S,14S,17S)-17-[(1S)-1,2-dihydroxyethyl]-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-3,11-diol
Also Known As: pregnane-3,11,20,21-tetrol|Sid 770210|KST-1A9078|5alpha-Pregnane-3beta,11beta,20beta,21-tetrol|ethyl 2-formylbicyclo[2.2.1]hept-5-ene-3-carboxylate|(3|A,5|A,11|A,20s)-pregnane-3,11,20,21-tetrol|(3beta,5alpha,11beta,20S)-Pregnane-3,11,20,21-tetrol|(20S)-5alpha-Pregnane-3beta,11beta,20,21-tetrol|5-alpha-PREGNAN-3-beta, 11-beta, 20-beta, 21-TETROL|5.alpha.-Pregnane-3.beta.,11.beta.,20.beta.,21-tetrol|Pregnane-3,11,20,21-tetrol, (3.beta.,5.alpha.,11.beta.,20S)-|(3S,5S,8S,9S,10S,11S,13S,14S,17S)-17-[(1S)-1,2-dihydroxyethyl]-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-3,11-diol
| Molecular Formula | C21H36O4 |
|---|---|
| Molecular Weight | 352.26135 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 80.9 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 352.26135 |
| Monoisotopic Mass | 352.26135 |
| Heavy Atoms | 25 |
| Complexity | 510.0 |
Chemical Identifiers
| CAS Number | 944-99-0 |
|---|---|
| SMILES | C[C@]12CC[C@@H](C[C@@H]1CC[C@@H]3[C@@H]2[C@H](C[C@]4([C@H]3CC[C@@H]4[C@@H](CO)O)C)O)O |
| InChIKey | AVWPXRTWDBUIQR-QTYNMNAUSA-N |
Product Overview
5alpha-Pregnane-3beta,11beta,20beta,21-tetrol (CAS 944-99-0), with molecular formula C21H36O4 and molecular weight 352.26135 g/mol. IUPAC: (3S,5S,8S,9S,10S,11S,13S,14S,17S)-17-[(1S)-1,2-dihydroxyethyl]-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-3,11-diol.