5alpha-Pregnan-3beta,20beta-diol 3-sulfate
[(3S,5S,8R,9S,10S,13S,14S,17S)-17-[(1R)-1-hydroxyethyl]-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl] hydrogen sulfate
Also Known As: 5alpha-Pregnan-3beta,20beta-diol 3-sulfate|5alpha-Pregnane-3beta,20alpha-diol 3-sulfate
CAS: 64997-50-8
| Molecular Formula | C21H36O5S |
|---|---|
| Molecular Weight | 400.22833 g/mol |
| LogP | 4.2141 |
| Topological Polar Surface Area | 83.83 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 400.22833 |
| Monoisotopic Mass | 400.22833 |
| Heavy Atoms | 27 |
| Complexity | 676.05945 |
Chemical Identifiers
| CAS Number | 64997-50-8 |
|---|---|
| SMILES | C[C@H]([C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC[C@@H]4[C@@]3(CC[C@@H](C4)OS(=O)(=O)O)C)C)O |
Product Overview
5alpha-Pregnan-3beta,20beta-diol 3-sulfate (CAS 64997-50-8), with molecular formula C21H36O5S and molecular weight 400.22833 g/mol. IUPAC: [(3S,5S,8R,9S,10S,13S,14S,17S)-17-[(1R)-1-hydroxyethyl]-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl] hydrogen sulfate.
Safety Data Sheet (MSDS / SDS)
View the Laboratory Chemical Safety Summary (LCSS) on PubChem — includes GHS classifications, hazard statements, first aid measures, and handling precautions.
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5alpha-Pregnan-3beta,20beta-diol 3-sulfate is a custom synthesis product. We offer services from milligram to kilogram scale.
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