(3S)-10,13-Dimethyl-17-(6-Methylheptan-2-Yl)-1,2,3,4,6,7,8,9,11,12,14,15,16,17-Tetradecahydrocyclopenta[a]Phenanthrene-3,5-Diol
[CAS# 3347-60-2]

Identification

• Name: (3S)-10,13-Dimethyl-17-(6-Methylheptan-2-Yl)-1,2,3,4,6,7,8,9,11,12,14,15,16,17-Tetradecahydrocyclopenta[a]Phenanthrene-3,5-Diol
• Synonyms: (3S)-17-(1,5-Dimethylhexyl)-10,13-Dimethyl-1,2,3,4,6,7,8,9,11,12,14,15,16,17-Tetradecahydrocyclopenta[A]Phenanthrene-3,5-Diol; (3-Beta,5-Alpha)-Cholestane-3,5-Diol
• Molecular Formula: C₂₇H₄₈O₂
• Molecular Weight: 404.68
• CAS Registry Number: 3347-60-2
• SMILES: [C@@H]4(O)CC3(O)C(C2C(C1C(C(CC1)C(CCCC(C)C)C)(CC2)C)CC3)(CC4)C
• InChI: 1S/C27H48O2/c1-18(2)7-6-8-19(3)22-9-10-23-21-12-16-27(29)17-20(28)11-15-26(27,5)24(21)13-14-25(22,23)4/h18-24,28-29H,6-17H2,1-5H3/t19?,20-,21?,22?,23?,24?,25?,26?,27?/m0/s1
• InChIKey: YGJKELZDRWFHOR-PNWCUIAUSA-N

Properties

• Density: 1.017g/cm³ (Cal.)
• Boiling point: 498.852°C at 760 mmHg (Cal.)
• Flash point: 204.992°C (Cal.)