22-Hydroxycholest-4-En-3-One
[CAS# 60881-76-7]

Identification

• Name: 22-Hydroxycholest-4-En-3-One
• Synonyms: (8S,9S,10R,13S,14S,17R)-17-[(1S,2R)-2-Hydroxy-1,5-Dimethyl-Hexyl]-10,13-Dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-Dodecahydrocyclopenta[A]Phenanthren-3-One; (8S,9S,10R,13S,14S,17R)-17-[(1S,2R)-2-Hydroxy-1,5-Dimethylhexyl]-10,13-Dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-Dodecahydrocyclopenta[A]Phenanthren-3-One; (8S,9S,10R,13S,14S,17R)-17-[(2S,3R)-3-Hydroxy-6-Methyl-Heptan-2-Yl]-10,13-Dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-Dodecahydrocyclopenta[A]Phenanthren-3-One
• Molecular Formula: C₂₇H₄₄O₂
• Molecular Weight: 400.64
• CAS Registry Number: 60881-76-7
• SMILES: [C@H]34[C@H]2[C@@H]([C@@]1(C(=CC(=O)CC1)CC2)C)CC[C@@]3([C@H](CC4)[C@@H]([C@H](O)CCC(C)C)C)C
• InChI: 1S/C27H44O2/c1-17(2)6-11-25(29)18(3)22-9-10-23-21-8-7-19-16-20(28)12-14-26(19,4)24(21)13-15-27(22,23)5/h16-18,21-25,29H,6-15H2,1-5H3/t18-,21-,22+,23-,24-,25+,26-,27+/m0/s1
• InChIKey: YXEUIHYGTAHPFF-JBZOCUGJSA-N

Properties

• Density: 1.032g/cm³ (Cal.)
• Boiling point: 515.751°C at 760 mmHg (Cal.)
• Flash point: 218.11°C (Cal.)