(3beta,5alpha,16beta)-16-Bromo-3-Hydroxyandrostan-17-One
[CAS# 115115-49-6]

Identification

• Name: (3beta,5alpha,16beta)-16-Bromo-3-Hydroxyandrostan-17-One
• Synonyms: 16β-Bromoandrosterone
• Molecular Formula: C₁₉H₂₉BrO₂
• Molecular Weight: 369.34
• CAS Registry Number: 115115-49-6
• SMILES: O=C2[C@]1(CC[C@H]3[C@H]([C@@H]1C[C@@H]2Br)CC[C@H]4C[C@@H](O)CC[C@]34C)C
• InChI: 1S/C19H29BrO2/c1-18-7-5-12(21)9-11(18)3-4-13-14(18)6-8-19(2)15(13)10-16(20)17(19)22/h11-16,21H,3-10H2,1-2H3/t11-,12-,13+,14-,15-,16-,18-,19-/m0/s1
• InChIKey: CWVMWSZEMZOUPC-URTJIJAPSA-N

Properties

• Density: 1.31g/cm³ (Cal.)
• Boiling point: 448.561°C at 760 mmHg (Cal.)
• Flash point: 225.082°C (Cal.)
• Refractive index: 1.56 (Cal.)