(5alpha,14xi,20R)-3-(Trifluoromethyl)Cholestan-3-Ol
[CAS# 118143-27-4]

Identification

• Name: (5alpha,14xi,20R)-3-(Trifluoromethyl)Cholestan-3-Ol
• Synonyms: (5S,8R,9S,10S,13R,17R)-17-[(1R)-1,5-dimethylhexyl]-10,13-dimethyl-3-(trifluoromethyl)-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-ol
• Molecular Formula: C₂₈H₄₇F₃O
• Molecular Weight: 456.67
• CAS Registry Number: 118143-27-4
• SMILES: C[C@H](CCCC(C)C)[C@H]1CCC2[C@@]1(CC[C@H]3[C@H]2CC[C@@H]4[C@@]3(CCC(C4)(C(F)(F)F)O)C)C
• InChI: 1S/C28H47F3O/c1-18(2)7-6-8-19(3)22-11-12-23-21-10-9-20-17-27(32,28(29,30)31)16-15-25(20,4)24(21)13-14-26(22,23)5/h18-24,32H,6-17H2,1-5H3/t19-,20+,21+,22-,23?,24+,25+,26-,27?/m1/s1
• InChIKey: MMDZLOYYVBYGCO-QCEVEKBTSA-N

Properties

• Density: 1.0±0.1g/cm³ (Cal.)
• Boiling point: 474.2±40.0°C at 760 mmHg (Cal.)
• Flash point: 206.1±21.8°C (Cal.)
• Refractive index: 1.483 (Cal.)