5-Androstene-3b,16a,17b-Triol
[CAS# 4150-30-5]

Identification

• Name: 5-Androstene-3b,16a,17b-Triol
• Synonyms: 5-Androstene-3,16,17-Triol; 5-Androstene-3Beta,16Alpha,17Beta-Triol; Androst-5-Ene-3,16,17-Triol, (3Beta,16Alpha,17Beta)-
• Molecular Formula: C₁₉H₃₀O₃
• Molecular Weight: 306.44
• CAS Registry Number: 4150-30-5
• SMILES: [C@H]13[C@@H]([C@@]2(C(=CC1)CC(O)CC2)C)CC[C@]4([C@H]3CC(O)C4O)C
• 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+/m1/s1
• InChIKey: GUGSXATYPSGVAY-DPKZMNKYSA-N

Properties

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