(8R,9S,10R,13S,14S,17S)-17-Hydroxy-10,13-Dimethyl-17-[(2R)-6-Methylheptan-2-Yl]-2,6,7,8,9,11,12,14,15,16-Decahydro-1H-Cyclopenta[a]Phenanthren-3-One
[CAS# 157636-45-8]

Identification

• Name: (8R,9S,10R,13S,14S,17S)-17-Hydroxy-10,13-Dimethyl-17-[(2R)-6-Methylheptan-2-Yl]-2,6,7,8,9,11,12,14,15,16-Decahydro-1H-Cyclopenta[a]Phenanthren-3-One
• Synonyms: (8R,9S,10R,13S,14S,17S)-17-[(1R)-1,5-Dimethylhexyl]-17-Hydroxy-10,13-Dimethyl-2,6,7,8,9,11,12,14,15,16-Decahydro-1H-Cyclopenta[A]Phenanthren-3-One; 17-Hydroxycholest-4-En-3-One
• Molecular Formula: C₂₇H₄₄O₂
• Molecular Weight: 400.64
• CAS Registry Number: 157636-45-8
• SMILES: [C@H]34[C@H]2[C@@H]([C@@]1(C(=CC(=O)CC1)CC2)C)CC[C@@]3([C@](O)(CC4)[C@@H](CCCC(C)C)C)C
• InChI: 1S/C27H44O2/c1-18(2)7-6-8-19(3)27(29)16-13-24-22-10-9-20-17-21(28)11-14-25(20,4)23(22)12-15-26(24,27)5/h17-19,22-24,29H,6-16H2,1-5H3/t19-,22-,23+,24+,25+,26+,27+/m1/s1
• InChIKey: JPZQAAAKHXFVKO-AHXUHXIQSA-N

Properties

• Density: 1.034g/cm³ (Cal.)
• Boiling point: 511.913°C at 760 mmHg (Cal.)
• Flash point: 216.6°C (Cal.)