(1S,2R,4aS,4bR,6aS,8S,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# 516-51-8]

Identification

• Name: (1S,2R,4aS,4bR,6aS,8S,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
• Molecular Formula: C₂₁H₃₆O₂
• Molecular Weight: 320.51
• CAS Registry Number: 516-51-8
• SMILES: C[C@@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@H](CC[C@@]4([C@H]3CC[C@@]2([C@H]1O)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-NHJCDZISSA-N

Properties

• Density: 1.0±0.1g/cm³ (Cal.)
• Boiling point: 437.2±18.0°C at 760 mmHg (Cal.)
• Flash point: 191.7±15.8°C (Cal.)