(1S,2R,4aS,4bR,6aR,8R,10aS,10bS,12aS)-2,10a,12a-Trimethyl-1,2,3,4,4a,4b,5,6,6a,7,8,9,10,10b,11,12-Hexadecahydrochrysene-1,8-Diol
[CAS# 76612-30-1]

Identification

• Name: (1S,2R,4aS,4bR,6aR,8R,10aS,10bS,12aS)-2,10a,12a-Trimethyl-1,2,3,4,4a,4b,5,6,6a,7,8,9,10,10b,11,12-Hexadecahydrochrysene-1,8-Diol
• Synonyms: 17Alpha-Methyl-D-Homo-5Beta-Androstane-3Alpha,17Abeta-Diol; D-Homoandrostane-3,17A-Diol, 17-Methyl-, (3Alpha,5Beta,17Alpha,17Abeta)-; 17-Methyl-D-Homoandrostane-3,17-Diol
• Molecular Formula: C₂₁H₃₆O₂
• Molecular Weight: 320.51
• CAS Registry Number: 76612-30-1
• SMILES: [C@H]1(CC[C@]2([C@@H](C1)CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CC[C@H]([C@@H]4O)C)C)C)O
• InChI: 1S/C21H36O2/c1-13-4-7-17-16-6-5-14-12-15(22)8-10-20(14,2)18(16)9-11-21(17,3)19(13)23/h13-19,22-23H,4-12H2,1-3H3/t13-,14-,15-,16+,17+,18+,19+,20+,21+/m1/s1
• InChIKey: HUPSBBUECCCNKS-YAWPOEEYSA-N

Properties

• Density: 1.048g/cm³ (Cal.)
• Boiling point: 437.151°C at 760 mmHg (Cal.)
• Flash point: 191.695°C (Cal.)