Carbonic Acid 2,2,2-Trifluoroethyl Cholest-5-En-3beta-Yl Ester
[CAS# 62654-06-2]

Identification

• Name: Carbonic Acid 2,2,2-Trifluoroethyl Cholest-5-En-3beta-Yl Ester
• Synonyms: [(3S,8S,9S,10R,13R,14S,17R)-17-[(1R)-1,5-Dimethylhexyl]-10,13-Dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-Dodecahydro-1H-Cyclopenta[A]Phenanthren-3-Yl] 2,2,2-Trifluoroethyl Carbonate; Carbonic Acid [(3S,8S,9S,10R,13R,14S,17R)-17-[(1R)-1,5-Dimethylhexyl]-10,13-Dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-Dodecahydro-1H-Cyclopenta[A]Phenanthren-3-Yl] 2,2,2-Trifluoroethyl Ester; Cholest-5-En-3-Ol (3Beta)-, 2,2,2-Trifluoroethyl Carbonate
• Molecular Formula: C₃₀H₄₇F₃O₃
• Molecular Weight: 512.69
• CAS Registry Number: 62654-06-2
• SMILES: [C@H]34[C@H]1[C@@H]([C@@]2(C(=CC1)C[C@@H](OC(OCC(F)(F)F)=O)CC2)C)CC[C@@]3([C@H](CC4)[C@@H](CCCC(C)C)C)C
• InChI: 1S/C30H47F3O3/c1-19(2)7-6-8-20(3)24-11-12-25-23-10-9-21-17-22(36-27(34)35-18-30(31,32)33)13-15-28(21,4)26(23)14-16-29(24,25)5/h9,19-20,22-26H,6-8,10-18H2,1-5H3/t20-,22+,23+,24-,25+,26+,28+,29-/m1/s1
• InChIKey: KOVRJXLBYGVOHW-OHPSOFBHSA-N

Properties

• Density: 1.099g/cm³ (Cal.)
• Boiling point: 532.021°C at 760 mmHg (Cal.)
• Flash point: 265.457°C (Cal.)