(3beta,7beta,8xi,9xi,14xi,16alpha)-16-Bromo-3,7-Dihydroxyandrost-5-En-17-One
[CAS# 502848-93-3]

Identification

• Name: (3beta,7beta,8xi,9xi,14xi,16alpha)-16-Bromo-3,7-Dihydroxyandrost-5-En-17-One
• Molecular Formula: C₁₉H₂₇BrO₃
• Molecular Weight: 383.32
• CAS Registry Number: 502848-93-3
• SMILES: O=C3[C@]2(CCC1[C@@]4(C(=C/[C@H](O)C1C2C[C@H]3Br)\C[C@@H](O)CC4)C)C
• InChI: 1S/C19H27BrO3/c1-18-5-3-11(21)7-10(18)8-15(22)16-12(18)4-6-19(2)13(16)9-14(20)17(19)23/h8,11-16,21-22H,3-7,9H2,1-2H3/t11-,12?,13?,14+,15-,16?,18-,19-/m0/s1
• InChIKey: ZYIKAQWGAUTCMD-PLLNZTHBSA-N

Properties

• Density: 1.426g/cm³ (Cal.)
• Boiling point: 507.53°C at 760 mmHg (Cal.)
• Flash point: 260.745°C (Cal.)
• Refractive index: 1.603 (Cal.)