(3S,5S,8R,9S,10S,13R,16R,17R)-10,13-Dimethyl-17-[(2R)-6-Methylheptan-2-Yl]-2,3,4,5,6,7,8,9,11,12,16,17-Dodecahydro-1H-Cyclopenta[a]Phenanthrene-3,16-Diol
[CAS# 139953-32-5]

Identification

• Name: (3S,5S,8R,9S,10S,13R,16R,17R)-10,13-Dimethyl-17-[(2R)-6-Methylheptan-2-Yl]-2,3,4,5,6,7,8,9,11,12,16,17-Dodecahydro-1H-Cyclopenta[a]Phenanthrene-3,16-Diol
• Synonyms: (3S,5S,8R,9S,10S,13R,16R,17R)-17-[(1R)-1,5-Dimethylhexyl]-10,13-Dimethyl-2,3,4,5,6,7,8,9,11,12,16,17-Dodecahydro-1H-Cyclopenta[A]Phenanthrene-3,16-Diol; 5Alpha-Cholest-14-En-3Beta,16Alpha-Diol; Cholest-14-Ene-3,16-Diol
• Molecular Formula: C₂₇H₄₆O₂
• Molecular Weight: 402.66
• CAS Registry Number: 139953-32-5
• SMILES: [C@@H]23[C@H](C1=C[C@@H](O)[C@@H]([C@]1(CC2)C)[C@@H](CCCC(C)C)C)CC[C@@H]4[C@@]3(CC[C@H](O)C4)C
• InChI: 1S/C27H46O2/c1-17(2)7-6-8-18(3)25-24(29)16-23-21-10-9-19-15-20(28)11-13-26(19,4)22(21)12-14-27(23,25)5/h16-22,24-25,28-29H,6-15H2,1-5H3/t18-,19+,20+,21-,22+,24-,25+,26+,27+/m1/s1
• InChIKey: ZOAXOAKEGDZGLC-PUHROEFSSA-N

Properties

• Density: 1.034g/cm³ (Cal.)
• Boiling point: 514.09°C at 760 mmHg (Cal.)
• Flash point: 214.052°C (Cal.)