(3S,5R,8R,9S,10S,13R,14S,17R)-7,7-Difluoro-10,13-Dimethyl-17-[(2R)-6-Methylheptan-2-Yl]-1,2,3,4,5,6,8,9,11,12,14,15,16,17-Tetradecahydrocyclopenta[a]Phenanthren-3-Ol
[CAS# 111300-79-9]

Identification

• Name: (3S,5R,8R,9S,10S,13R,14S,17R)-7,7-Difluoro-10,13-Dimethyl-17-[(2R)-6-Methylheptan-2-Yl]-1,2,3,4,5,6,8,9,11,12,14,15,16,17-Tetradecahydrocyclopenta[a]Phenanthren-3-Ol
• Synonyms: (3S,5R,8R,9S,10S,13R,14S,17R)-17-[(1R)-1,5-Dimethylhexyl]-7,7-Difluoro-10,13-Dimethyl-1,2,3,4,5,6,8,9,11,12,14,15,16,17-Tetradecahydrocyclopenta[A]Phenanthren-3-Ol; 7,7-Difluorocholestanol
• Molecular Formula: C₂₇H₄₆F₂O
• Molecular Weight: 424.66
• CAS Registry Number: 111300-79-9
• SMILES: [C@@H]4([C@@H](CCCC(C)C)C)[C@@]3([C@H]([C@@H]2C(C[C@H]1C[C@H](CC[C@@]1([C@H]2CC3)C)O)(F)F)CC4)C
• InChI: 1S/C27H46F2O/c1-17(2)7-6-8-18(3)21-9-10-22-24-23(12-14-26(21,22)5)25(4)13-11-20(30)15-19(25)16-27(24,28)29/h17-24,30H,6-16H2,1-5H3/t18-,19-,20+,21-,22+,23+,24+,25+,26-/m1/s1
• InChIKey: XRKOSUXXQLHKFI-GVGILINXSA-N

Properties

• Density: 1.038g/cm³ (Cal.)
• Boiling point: 475.022°C at 760 mmHg (Cal.)
• Flash point: 241.085°C (Cal.)