(3alpha,5beta,16alpha)-3,16-Dihydroxyandrostan-17-One
[CAS# 14167-50-1]

Identification

• Name: (3alpha,5beta,16alpha)-3,16-Dihydroxyandrostan-17-One
• Synonyms: 16α-Hydroxyetiocholanolone; 3α,16α-Dihydroxy-5β-androstan-17-one; 5β-Androstane-3α,16α-diol-17-one
• Molecular Formula: C₁₉H₃₀O₃
• Molecular Weight: 306.44
• CAS Registry Number: 14167-50-1
• SMILES: C[C@]12CC[C@H](C[C@H]1CC[C@@H]3[C@@H]2CC[C@]4([C@H]3C[C@H](C4=O)O)C)O
• InChI: 1S/C19H30O3/c1-18-7-5-12(20)9-11(18)3-4-13-14(18)6-8-19(2)15(13)10-16(21)17(19)22/h11-16,20-21H,3-10H2,1-2H3/t11-,12-,13-,14+,15+,16-,18+,19+/m1/s1
• InChIKey: HLQYTKUIIJTNHH-NMTBMHBSSA-N

Properties

• Density: 1.2±0.1g/cm³ (Cal.)
• Boiling point: 454.7±45.0°C at 760 mmHg (Cal.)
• Flash point: 242.9±25.2°C (Cal.)
• Refractive index: 1.556 (Cal.)