(3S,8S,9S,10R,13R,14S,16R)-10,13-Dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-Dodecahydro-1H-Cyclopenta[a]Phenanthrene-3,16-Diol
[CAS# 3642-89-5]

Identification

• Name: (3S,8S,9S,10R,13R,14S,16R)-10,13-Dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-Dodecahydro-1H-Cyclopenta[a]Phenanthrene-3,16-Diol
• Synonyms: 3-Beta,16-Alpha-Dihydroxy-5-Androstene; 4-06-00-06394 (Beilstein Handbook Reference); 5-Androstene-3-Beta,16-Alpha-Diol
• Molecular Formula: C₁₉H₃₀O₂
• Molecular Weight: 290.44
• CAS Registry Number: 3642-89-5
• SMILES: [C@H]13[C@@H]([C@@]2(C(=CC1)C[C@@H](O)CC2)C)CC[C@]4([C@H]3C[C@@H](O)C4)C
• InChI: 1S/C19H30O2/c1-18-7-6-16-15(17(18)10-14(21)11-18)4-3-12-9-13(20)5-8-19(12,16)2/h3,13-17,20-21H,4-11H2,1-2H3/t13-,14+,15+,16-,17-,18+,19-/m0/s1
• InChIKey: CVCDJRPXEWJAAY-UVSUZTNJSA-N

Properties

• Density: 1.126g/cm³ (Cal.)
• Boiling point: 428.358°C at 760 mmHg (Cal.)
• Flash point: 194.539°C (Cal.)