5-Bromo-3,6-dihydroxyandrostan-17-one-3-acetate
2-[(8S,9S,10R,13S,14S)-5-bromo-3,6-dihydroxy-10,13-dimethyl-17-oxo-1,2,4,6,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-3-yl]acetate
Also Known As: 5-Bromo-3,6-dihydroxyandrostan-17-one-3-acetate
CAS: 4229-69-0
| Molecular Formula | C21H30BrO5- |
|---|---|
| Molecular Weight | 441.12766 g/mol |
| LogP | 3.4 |
| Topological Polar Surface Area | 97.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 441.12766 |
| Monoisotopic Mass | 441.12766 |
| Heavy Atoms | 27 |
| Complexity | 676.0 |
Chemical Identifiers
| CAS Number | 4229-69-0 |
|---|---|
| SMILES | C[C@]12CC[C@H]3[C@H]([C@@H]1CCC2=O)CC(C4([C@@]3(CCC(C4)(CC(=O)[O-])O)C)Br)O |
| InChIKey | VOKTUTPBFBJKGL-SLUCZTLLSA-M |
Product Overview
5-Bromo-3,6-dihydroxyandrostan-17-one-3-acetate (CAS 4229-69-0), with molecular formula C21H30BrO5- and molecular weight 441.12766 g/mol. IUPAC: 2-[(8S,9S,10R,13S,14S)-5-bromo-3,6-dihydroxy-10,13-dimethyl-17-oxo-1,2,4,6,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-3-yl]acetate.
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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5-Bromo-3,6-dihydroxyandrostan-17-one-3-acetate is a custom synthesis product. We offer services from milligram to kilogram scale.
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