(5alpha)-Cholestane-3,6-dione
[CAS# 2243-09-6]

Identification

• Name: (5alpha)-Cholestane-3,6-dione
• Synonyms: (5S,8S,9S,10R,13R,14S,17R)-17-[(1R)-1,5-Dimethylhexyl]-10,13-Dimethyl-2,4,5,7,8,9,11,12,14,15,16,17-Dodecahydro-1H-Cyclopenta[A]Phenanthrene-3,6-Dione; (5S,8S,9S,10R,13R,14S,17R)-17-[(1R)-1,5-Dimethylhexyl]-10,13-Dimethyl-2,4,5,7,8,9,11,12,14,15,16,17-Dodecahydro-1H-Cyclopenta[A]Phenanthrene-3,6-Quinone; (5Alpha)-Cholestane-3,6-Dione
• Molecular Formula: C₂₇H₄₄O₂
• Molecular Weight: 400.64
• CAS Registry Number: 2243-09-6
• SMILES: [C@]34([C@@H]2[C@H]([C@@H]1CC[C@@H]([C@]1(CC2)C)[C@@H](CCCC(C)C)C)CC([C@H]3CC(CC4)=O)=O)C
• InChI: 1S/C27H44O2/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/h17-18,20-24H,6-16H2,1-5H3/t18-,20+,21-,22+,23+,24-,26-,27-/m1/s1
• InChIKey: LNGLEOIUQBVRRY-PWNVBJGISA-N

Properties

• Density: 0.996g/cm³ (Cal.)
• Boiling point: 499.167°C at 760 mmHg (Cal.)
• Flash point: 184.639°C (Cal.)