(3R,5S,7R,8R,9S,10S,13R,14S,17R)-10,13-Dimethyl-17-[(2R)-6-Methylheptan-2-Yl]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-Tetradecahydro-1H-Cyclopenta[a]Phenanthrene-3,7-Diol
[CAS# 3862-26-8]

Identification

• Name: (3R,5S,7R,8R,9S,10S,13R,14S,17R)-10,13-Dimethyl-17-[(2R)-6-Methylheptan-2-Yl]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-Tetradecahydro-1H-Cyclopenta[a]Phenanthrene-3,7-Diol
• Synonyms: (3R,5S,7R,8R,9S,10S,13R,14S,17R)-17-[(1R)-1,5-Dimethylhexyl]-10,13-Dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-Tetradecahydro-1H-Cyclopenta[A]Phenanthrene-3,7-Diol; Lmst04030109; 3Alpha,7Alpha-Dihydroxy-5Beta-Cholestane
• Molecular Formula: C₂₇H₄₈O₂
• Molecular Weight: 404.68
• CAS Registry Number: 3862-26-8
• SMILES: [C@H]1(CC[C@]3([C@@H](C1)C[C@H]([C@H]4[C@@H]2CC[C@H]([C@@H](CCCC(C)C)C)[C@@]2(C)CC[C@H]34)O)C)O
• InChI: 1S/C27H48O2/c1-17(2)7-6-8-18(3)21-9-10-22-25-23(12-14-27(21,22)5)26(4)13-11-20(28)15-19(26)16-24(25)29/h17-25,28-29H,6-16H2,1-5H3/t18-,19+,20-,21-,22+,23+,24-,25+,26+,27-/m1/s1
• InChIKey: APYVEUGLZHAHDJ-TVRYRFOISA-N

Properties

• Density: 1.004g/cm³ (Cal.)
• Boiling point: 503.414°C at 760 mmHg (Cal.)
• Flash point: 207.407°C (Cal.)