(3beta,16alpha,17alpha)-Androst-5-Ene-3,16,17-Triol
[CAS# 23409-40-7]

Identification

• Name: (3beta,16alpha,17alpha)-Androst-5-Ene-3,16,17-Triol
• Synonyms: 5-Androsten-3β,16α,17α-triol; 5-Androstene-3b,16a,17a-triol
• Molecular Formula: C₁₉H₃₀O₃
• Molecular Weight: 306.44
• CAS Registry Number: 23409-40-7
• SMILES: O[C@@H]3C\C4=C\C[C@@H]1[C@H](CC[C@]2(C)[C@H](O)[C@H](O)C[C@@H]12)[C@@]4(C)CC3
• 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/h3,12-17,20-22H,4-10H2,1-2H3/t12-,13+,14-,15-,16+,17+,18-,19-/m0/s1
• InChIKey: GUGSXATYPSGVAY-LFJLJVMTSA-N

Properties

• Density: 1.197g/cm³ (Cal.)
• Boiling point: 449.795°C at 760 mmHg (Cal.)
• Flash point: 204.975°C (Cal.)
• Refractive index: 1.586 (Cal.)