(3S,8S,9S,10R,13R,14S,17R)-10,13-Dimethyl-17-[(2R)-6,7,7,7-Tetrafluoro-6-(Trifluoromethyl)Heptan-2-Yl]-2,3,4,7,8,9,11,12,14,15,16,17-Dodecahydro-1H-Cyclopenta[a]Phenanthren-3-Ol
[CAS# 153463-21-9]

Identification

• Name: (3S,8S,9S,10R,13R,14S,17R)-10,13-Dimethyl-17-[(2R)-6,7,7,7-Tetrafluoro-6-(Trifluoromethyl)Heptan-2-Yl]-2,3,4,7,8,9,11,12,14,15,16,17-Dodecahydro-1H-Cyclopenta[a]Phenanthren-3-Ol
• Synonyms: (3S,8S,9S,10R,13R,14S,17R)-10,13-Dimethyl-17-[(1R)-5,6,6,6-Tetrafluoro-1-Methyl-5-(Trifluoromethyl)Hexyl]-2,3,4,7,8,9,11,12,14,15,16,17-Dodecahydro-1H-Cyclopenta[A]Phenanthren-3-Ol; 25,26,26,26,27,27,27-Heptafluorocholest-5-En-3-Ol (3Beta)-; 25,26,26,26,27,27,27-Heptafluorocholesterol
• Molecular Formula: C₂₇H₃₉F₇O
• Molecular Weight: 512.59
• CAS Registry Number: 153463-21-9
• SMILES: [C@H]23[C@H]1[C@@]([C@H](CC1)[C@@H](CCCC(F)(C(F)(F)F)C(F)(F)F)C)(CC[C@@H]2[C@@]4(C(=CC3)C[C@@H](O)CC4)C)C
• InChI: 1S/C27H39F7O/c1-16(5-4-12-25(28,26(29,30)31)27(32,33)34)20-8-9-21-19-7-6-17-15-18(35)10-13-23(17,2)22(19)11-14-24(20,21)3/h6,16,18-22,35H,4-5,7-15H2,1-3H3/t16-,18+,19+,20-,21+,22+,23+,24-/m1/s1
• InChIKey: DUAIJEYNEJQOCE-OLSVQSNTSA-N

Properties

• Density: 1.202g/cm³ (Cal.)
• Boiling point: 465.759°C at 760 mmHg (Cal.)
• Flash point: 235.483°C (Cal.)