(3S,8S,9S,10R,13R,14R,17R)-10,13-Dimethyl-17-[(2R)-6-Methylheptan-2-Yl]-2,3,4,7,8,9,11,12,14,15,16,17-Dodecahydro-1H-Cyclopenta[a]Phenanthren-3-Ol
[CAS# 57759-45-2]

Identification

• Name: (3S,8S,9S,10R,13R,14R,17R)-10,13-Dimethyl-17-[(2R)-6-Methylheptan-2-Yl]-2,3,4,7,8,9,11,12,14,15,16,17-Dodecahydro-1H-Cyclopenta[a]Phenanthren-3-Ol
• Synonyms: (3S,8S,9S,10R,13R,14R,17R)-17-[(1R)-1,5-Dimethylhexyl]-10,13-Dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-Dodecahydro-1H-Cyclopenta[A]Phenanthren-3-Ol; 14Beta-Cholest-5-En-3Beta-Ol; Cholest-5-En-3-Ol, (3Beta,14Beta)-
• Molecular Formula: C₂₇H₄₆O
• Molecular Weight: 386.66
• CAS Registry Number: 57759-45-2
• SMILES: [C@@H]34[C@H]1[C@@H]([C@@]2(C(=CC1)C[C@@H](O)CC2)C)CC[C@@]3([C@H](CC4)[C@@H](CCCC(C)C)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/h9,18-19,21-25,28H,6-8,10-17H2,1-5H3/t19-,21+,22+,23-,24-,25+,26+,27-/m1/s1
• InChIKey: HVYWMOMLDIMFJA-XPLHTOFXSA-N

Properties

• Density: 0.988g/cm³ (Cal.)
• Boiling point: 480.648°C at 760 mmHg (Cal.)
• Flash point: 209.291°C (Cal.)