(8S,9S,10R,13R,14S,17R)-10,13-Dimethyl-17-[(2R)-6-Methylheptan-2-Yl]-8,9,11,12,14,15,16,17-Octahydrocyclopenta[a]Phenanthren-3-One
[CAS# 3464-60-6]

Identification

• Name: (8S,9S,10R,13R,14S,17R)-10,13-Dimethyl-17-[(2R)-6-Methylheptan-2-Yl]-8,9,11,12,14,15,16,17-Octahydrocyclopenta[a]Phenanthren-3-One
• Synonyms: (8S,9S,10R,13R,14S,17R)-17-[(1R)-1,5-Dimethylhexyl]-10,13-Dimethyl-8,9,11,12,14,15,16,17-Octahydrocyclopenta[A]Phenanthren-3-One; Cholesta-1,4,6-Trien-3-One
• Molecular Formula: C₂₇H₄₀O
• Molecular Weight: 380.61
• CAS Registry Number: 3464-60-6
• EINECS: 222-416-3
• SMILES: [C@H]34[C@H]2[C@@H]([C@@]1(C(=CC(=O)C=C1)C=C2)C)CC[C@@]3([C@H](CC4)[C@@H](CCCC(C)C)C)C
• InChI: 1S/C27H40O/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/h9-10,13,15,17-19,22-25H,6-8,11-12,14,16H2,1-5H3/t19-,22+,23-,24+,25+,26+,27-/m1/s1
• InChIKey: NIJCHQWGAFQPFT-GYKMGIIDSA-N

Properties

• Density: 1.01g/cm³ (Cal.)
• Boiling point: 495.075°C at 760 mmHg (Cal.)
• Flash point: 209.807°C (Cal.)