3-Bromoacetoxyandrostan-17-One
[CAS# 83456-59-1]

Identification

• Name: 3-Bromoacetoxyandrostan-17-One
• Synonyms: 2-Bromoacetic Acid [(3R,5S,8R,9S,10S,13S,14S)-10,13-Dimethyl-17-Oxo-1,2,3,4,5,6,7,8,9,11,12,14,15,16-Tetradecahydrocyclopenta[A]Phenanthren-3-Yl] Ester; 2-Bromoacetic Acid [(3R,5S,8R,9S,10S,13S,14S)-17-Keto-10,13-Dimethyl-1,2,3,4,5,6,7,8,9,11,12,14,15,16-Tetradecahydrocyclopenta[A]Phenanthren-3-Yl] Ester; [(3R,5S,8R,9S,10S,13S,14S)-10,13-Dimethyl-17-Oxo-1,2,3,4,5,6,7,8,9,11,12,14,15,16-Tetradecahydrocyclopenta[A]Phenanthren-3-Yl] 2-Bromoethanoate
• Molecular Formula: C₂₁H₃₁BrO₃
• Molecular Weight: 411.38
• CAS Registry Number: 83456-59-1
• SMILES: [C@H]1(CC[C@]3([C@H](C1)CC[C@H]4[C@@H]2CCC([C@@]2(C)CC[C@H]34)=O)C)OC(=O)CBr
• InChI: 1S/C21H31BrO3/c1-20-9-7-14(25-19(24)12-22)11-13(20)3-4-15-16-5-6-18(23)21(16,2)10-8-17(15)20/h13-17H,3-12H2,1-2H3/t13-,14+,15-,16-,17-,20-,21-/m0/s1
• InChIKey: MHVSXHSVOGMZQU-DQACUKESSA-N

Properties

• Density: 1.303g/cm³ (Cal.)
• Boiling point: 469.617°C at 760 mmHg (Cal.)
• Flash point: 237.816°C (Cal.)