25-Fluorocholesterol
[CAS# 64164-45-0]

Identification

• Name: 25-Fluorocholesterol
• Synonyms: (3S,8S,9S,10R,13R,14S,17R)-17-[(1R)-5-Fluoro-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,13R,14S,17R)-17-[(1R)-5-Fluoro-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,13R,14S,17R)-17-[(2R)-6-Fluoro-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: C₂₇H₄₅FO
• Molecular Weight: 404.65
• CAS Registry Number: 64164-45-0
• 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](CCCC(F)(C)C)C)C
• InChI: 1S/C27H45FO/c1-18(7-6-14-25(2,3)28)22-10-11-23-21-9-8-19-17-20(29)12-15-26(19,4)24(21)13-16-27(22,23)5/h8,18,20-24,29H,6-7,9-17H2,1-5H3/t18-,20+,21+,22-,23+,24+,26+,27-/m1/s1
• InChIKey: KODUXLQPNXWWMQ-ZHHJOTBYSA-N

Properties

• Density: 1.021g/cm³ (Cal.)
• Boiling point: 489.404°C at 760 mmHg (Cal.)
• Flash point: 305.286°C (Cal.)