(1S,8S,9S,10R,13R,14S,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-1-Ol
[CAS# 52032-61-8]

Identification

• Name: (1S,8S,9S,10R,13R,14S,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-1-Ol
• Synonyms: (1S,8S,9S,10R,13R,14S,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-1-Ol; 1-Hydroxycholest-5-Ene; 1Alpha-Hydroxycholest-5-Ene
• Molecular Formula: C₂₇H₄₆O
• Molecular Weight: 386.66
• CAS Registry Number: 52032-61-8
• SMILES: [C@H]34[C@H]1[C@@H]([C@@]2(C(=CC1)CCC[C@@H]2O)C)CC[C@@]3([C@H](CC4)[C@@H](CCCC(C)C)C)C
• InChI: 1S/C27H46O/c1-18(2)8-6-9-19(3)22-14-15-23-21-13-12-20-10-7-11-25(28)27(20,5)24(21)16-17-26(22,23)4/h12,18-19,21-25,28H,6-11,13-17H2,1-5H3/t19-,21+,22-,23+,24+,25+,26-,27+/m1/s1
• InChIKey: WCXVWNCXXVGIIA-PVYPBFNKSA-N

Properties

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