17-Bromoacetoxy-4-Androsten-3-One
[CAS# 4588-81-2]

Identification

• Name: 17-Bromoacetoxy-4-Androsten-3-One
• Synonyms: 2-Bromoacetic Acid [(8R,9S,10R,13S,14S)-10,13-Dimethyl-3-Oxo-1,2,6,7,8,9,11,12,14,15,16,17-Dodecahydrocyclopenta[A]Phenanthren-17-Yl] Ester; 2-Bromoacetic Acid [(8R,9S,10R,13S,14S)-3-Keto-10,13-Dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-Dodecahydrocyclopenta[A]Phenanthren-17-Yl] Ester; [(8R,9S,10R,13S,14S)-10,13-Dimethyl-3-Oxo-1,2,6,7,8,9,11,12,14,15,16,17-Dodecahydrocyclopenta[A]Phenanthren-17-Yl] 2-Bromoethanoate
• Molecular Formula: C₂₁H₂₉BrO₃
• Molecular Weight: 409.36
• CAS Registry Number: 4588-81-2
• SMILES: [C@H]24[C@H]1[C@@](C(OC(=O)CBr)CC1)(CC[C@@H]2[C@@]3(C(=CC(=O)CC3)CC4)C)C
• InChI: 1S/C21H29BrO3/c1-20-9-7-14(23)11-13(20)3-4-15-16-5-6-18(25-19(24)12-22)21(16,2)10-8-17(15)20/h11,15-18H,3-10,12H2,1-2H3/t15-,16-,17-,18?,20-,21-/m0/s1
• InChIKey: PALQPHIJBDKABO-RVPRXVRWSA-N

Properties

• Density: 1.328g/cm³ (Cal.)
• Boiling point: 487.309°C at 760 mmHg (Cal.)
• Flash point: 248.516°C (Cal.)