Cholesta-4,7-Dien-3-One
[CAS# 16826-35-0]

Identification

• Name: Cholesta-4,7-Dien-3-One
• Synonyms: (9S,10R,13R,14R,17R)-17-[(1R)-1,5-Dimethylhexyl]-10,13-Dimethyl-1,2,6,9,11,12,14,15,16,17-Decahydrocyclopenta[A]Phenanthren-3-One; Cholesta-4,7-Dien-3-One
• Molecular Formula: C₂₇H₄₂O
• Molecular Weight: 382.63
• CAS Registry Number: 16826-35-0
• SMILES: [C@H]12[C@@]([C@H](CC1)[C@@H](CCCC(C)C)C)(CC[C@H]3C2=CCC4=CC(=O)CC[C@]34C)C
• InChI: 1S/C27H42O/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(28)13-15-26(20,4)25(22)14-16-27(23,24)5/h10,17-19,23-25H,6-9,11-16H2,1-5H3/t19-,23-,24+,25+,26+,27-/m1/s1
• InChIKey: SLFZVVVDTKTSRR-JRFVBUDKSA-N

Properties

• Density: 0.999g/cm³ (Cal.)
• Boiling point: 496.044°C at 760 mmHg (Cal.)
• Flash point: 251.52°C (Cal.)