Cholest-4-en-3,6-dione
[CAS# 984-84-9]

Identification

• Name: Cholest-4-en-3,6-dione
• Synonyms: (8S,9S,10R,13R,14S,17R)-17-[(1R)-1,5-Dimethylhexyl]-10,13-Dimethyl-2,7,8,9,11,12,14,15,16,17-Decahydro-1H-Cyclopenta[A]Phenanthrene-3,6-Dione; (8S,9S,10R,13R,14S,17R)-17-[(1R)-1,5-Dimethylhexyl]-10,13-Dimethyl-2,7,8,9,11,12,14,15,16,17-Decahydro-1H-Cyclope
• Molecular Formula: C₂₇H₄₂O₂
• Molecular Weight: 398.63
• CAS Registry Number: 984-84-9
• SMILES: [C@H]24[C@H]1[C@@]([C@H](CC1)[C@@H](CCCC(C)C)C)(CC[C@@H]2[C@@]3(C(=CC(=O)CC3)C(=O)C4)C)C
• InChI: 1S/C27H42O2/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/h15,17-18,20-23H,6-14,16H2,1-5H3/t18-,20+,21-,22+,23+,26-,27-/m1/s1
• InChIKey: GWOSBUGZGFVDDS-LKGWFGLDSA-N

Properties

• Density: 1.029g/cm³ (Cal.)
• Boiling point: 503.394°C at 760 mmHg (Cal.)
• Flash point: 186.072°C (Cal.)