22-Hydroxy-25-Fluorocholesterol
[CAS# 76752-41-5]

Identification

• Name: 22-Hydroxy-25-Fluorocholesterol
• Synonyms: (3S,8S,9S,10R,13S,14S,17R)-17-[(1S)-5-Fluoro-2-Hydroxy-1,5-Dimethyl-Hexyl]-10,13-Dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-Dodecahydro-1H-Cyclopenta[A]Phenanthren-3-Ol; (3S,8S,9S,10R,13S,14S,17R)-17-[(1S)-5-Fluoro-2-Hydroxy-1,5-Dimethylhexyl]-10,13-Dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-Dodecahydro-1H-Cyclopenta[A]Phenanthren-3-Ol; (3S,8S,9S,10R,13S,14S,17R)-17-[(2S)-6-Fluoro-3-Hydroxy-6-Methyl-Heptan-2-Yl]-10,13-Dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-Dodecahydro-1H-Cyclopenta[A]Phenanthren-3-Ol
• Molecular Formula: C₂₇H₄₅FO₂
• Molecular Weight: 420.65
• CAS Registry Number: 76752-41-5
• SMILES: [C@H]34[C@H]1[C@@H]([C@@]2(C(=CC1)C[C@@H](O)CC2)C)CC[C@@]3([C@H](CC4)[C@@H](C(O)CCC(F)(C)C)C)C
• InChI: 1S/C27H45FO2/c1-17(24(30)12-13-25(2,3)28)21-8-9-22-20-7-6-18-16-19(29)10-14-26(18,4)23(20)11-15-27(21,22)5/h6,17,19-24,29-30H,7-16H2,1-5H3/t17-,19-,20-,21+,22-,23-,24?,26-,27+/m0/s1
• InChIKey: HAAJKVUMSLGIDT-LOUMIQLRSA-N

Properties

• Density: 1.067g/cm³ (Cal.)
• Boiling point: 518.419°C at 760 mmHg (Cal.)
• Flash point: 267.331°C (Cal.)