(3beta,6alpha,17beta)-Androst-4-Ene-3,6,17-Triol
[CAS# 15780-14-0]

Identification

• Name: (3beta,6alpha,17beta)-Androst-4-Ene-3,6,17-Triol
• Synonyms: 4-Androsten-3β,6α,17β-triol
• Molecular Formula: C₁₉H₃₀O₃
• Molecular Weight: 306.44
• CAS Registry Number: 15780-14-0
• SMILES: C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2O)C[C@@H](C4=C[C@H](CC[C@]34C)O)O
• InChI: 1S/C19H30O3/c1-18-7-5-11(20)9-15(18)16(21)10-12-13-3-4-17(22)19(13,2)8-6-14(12)18/h9,11-14,16-17,20-22H,3-8,10H2,1-2H3/t11-,12-,13-,14-,16-,17-,18+,19-/m0/s1
• InChIKey: VDNDIJUBNPXREI-LRIRSYNWSA-N

Properties

• Density: 1.2±0.1g/cm³ (Cal.)
• Boiling point: 476.1±45.0°C at 760 mmHg (Cal.)
• Flash point: 219.3±23.3°C (Cal.)
• Refractive index: 1.587 (Cal.)