(9S,14S)-10,13-Dimethyl-17-[(2R)-6-Methylheptan-2-Yl]-2,3,4,5,8,9,11,12,14,15,16,17-Dodecahydro-1H-Cyclopenta[a]Phenanthrene
[CAS# 28338-70-7]

Identification

• Name: (9S,14S)-10,13-Dimethyl-17-[(2R)-6-Methylheptan-2-Yl]-2,3,4,5,8,9,11,12,14,15,16,17-Dodecahydro-1H-Cyclopenta[a]Phenanthrene
• Synonyms: (9S,14S)-17-[(1R)-1,5-Dimethylhexyl]-10,13-Dimethyl-2,3,4,5,8,9,11,12,14,15,16,17-Dodecahydro-1H-Cyclopenta[A]Phenanthrene; Cholest-6-Ene
• Molecular Formula: C₂₇H₄₆
• Molecular Weight: 370.66
• CAS Registry Number: 28338-70-7
• SMILES: [C@H]12C(C(CC1)[C@@H](CCCC(C)C)C)(CC[C@H]3C2C=CC4C3(CCCC4)C)C
• InChI: 1S/C27H46/c1-19(2)9-8-10-20(3)23-14-15-24-22-13-12-21-11-6-7-17-26(21,4)25(22)16-18-27(23,24)5/h12-13,19-25H,6-11,14-18H2,1-5H3/t20-,21?,22?,23?,24+,25+,26?,27?/m1/s1
• InChIKey: IUWNUFNRBABFDB-HXHCRBPZSA-N

Properties

• Density: 0.921g/cm³ (Cal.)
• Boiling point: 439.377°C at 760 mmHg (Cal.)
• Flash point: 241.185°C (Cal.)