(3S,5S,10S,13R,14R,17R)-10,13-Dimethyl-17-[(2R)-6-Methylheptan-2-Yl]-2,3,4,5,6,7,11,12,14,15,16,17-Dodecahydro-1H-Cyclopenta[a]Phenanthren-3-Ol
[CAS# 566-97-2]

Identification

• Name: (3S,5S,10S,13R,14R,17R)-10,13-Dimethyl-17-[(2R)-6-Methylheptan-2-Yl]-2,3,4,5,6,7,11,12,14,15,16,17-Dodecahydro-1H-Cyclopenta[a]Phenanthren-3-Ol
• Synonyms: (3S,5S,10S,13R,14R,17R)-17-[(1R)-1,5-Dimethylhexyl]-10,13-Dimethyl-2,3,4,5,6,7,11,12,14,15,16,17-Dodecahydro-1H-Cyclopenta[A]Phenanthren-3-Ol; 5Alpha-Cholest-8-En-3Beta-Ol; Cholest-8-En-3-Ol, (3Beta,5Alpha)-
• Molecular Formula: C₂₇H₄₆O
• Molecular Weight: 386.66
• CAS Registry Number: 566-97-2
• SMILES: [C@@]12(CCC3=C([C@@H]1CC[C@@H]2[C@@H](CCCC(C)C)C)CC[C@@H]4[C@@]3(CC[C@H](O)C4)C)C
• InChI: 1S/C27H46O/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/h18-21,23-24,28H,6-17H2,1-5H3/t19-,20+,21+,23-,24+,26+,27-/m1/s1
• InChIKey: QETLKNDKQOXZRP-XTGBIJOFSA-N

Properties

• Density: 0.99g/cm³ (Cal.)
• Boiling point: 480.051°C at 760 mmHg (Cal.)
• Flash point: 209.119°C (Cal.)