(8S,9S,10S,13R,14S,17R)-10,13-Dimethyl-17-[(2R)-6-Methylheptan-2-Yl]-6,7,8,9,11,12,14,15,16,17-Decahydrocyclopenta[a]Phenanthren-3-One
[CAS# 566-91-6]

Identification

• Name: (8S,9S,10S,13R,14S,17R)-10,13-Dimethyl-17-[(2R)-6-Methylheptan-2-Yl]-6,7,8,9,11,12,14,15,16,17-Decahydrocyclopenta[a]Phenanthren-3-One
• Synonyms: 17-(1,5-Dimethylhexyl)-10,13-Dimethyl-6,7,8,9,11,12,14,15,16,17-Decahydrocyclopenta[A]Phenanthren-3-One; Cholesta-1,4-Dien-3-One; Nsc118780
• Molecular Formula: C₂₇H₄₂O
• Molecular Weight: 382.63
• CAS Registry Number: 566-91-6
• SMILES: C(C(C4C3(C(C2C(C1(C(=CC(=O)C=C1)CC2)C)CC3)CC4)C)C)CCC(C)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/h13,15,17-19,22-25H,6-12,14,16H2,1-5H3
• InChIKey: AARSTNLEOKIRTL-UHFFFAOYSA-N

Properties

• Density: 0.997g/cm³ (Cal.)
• Boiling point: 483.58°C at 760 mmHg (Cal.)
• Flash point: 203.867°C (Cal.)