6-Ketocholestanol
[CAS# 70223-10-8]

Identification

• Name: 6-Ketocholestanol
• Synonyms: (3S,8S,9S,10R,13R,14S,17R)-17-[(1R)-1,5-Dimethylhexyl]-3-Hydroxy-10,13-Dimethyl-1,2,3,4,5,7,8,9,11,12,14,15,16,17-Tetradecahydrocyclopenta[A]Phenanthren-6-One; Cholestan-6-One, 3-Hydroxy-, (3Beta)-
• Molecular Formula: C₂₇H₄₆O₂
• Molecular Weight: 402.66
• CAS Registry Number: 70223-10-8
• SMILES: [C@]34([C@@H]2[C@H]([C@H]1[C@@]([C@H](CC1)[C@@H](CCCC(C)C)C)(CC2)C)CC(C3C[C@H](CC4)O)=O)C
• InChI: 1S/C27H46O2/c1-17(2)7-6-8-18(3)21-9-10-22-20-16-25(29)24-15-19(28)11-13-27(24,5)23(20)12-14-26(21,22)4/h17-24,28H,6-16H2,1-5H3/t18-,19+,20+,21-,22+,23+,24?,26-,27-/m1/s1
• InChIKey: JQMQKOQOLPGBBE-DNFLUMAFSA-N

Properties

• Density: 1g/cm³ (Cal.)
• Boiling point: 501.285°C at 760 mmHg (Cal.)
• Flash point: 212.398°C (Cal.)