Cholest-8(14)-en-3-yl-15-one oleate
[CAS# 112757-40-1]

Identification

• Name: Cholest-8(14)-en-3-yl-15-one oleate
• Synonyms: [(3S,5S,9R,10S,13R,17R)-17-[(1R)-1,5-Dimethylhexyl]-10,13-Dimethyl-15-Oxo-1,2,3,4,5,6,7,9,11,12,16,17-Dodecahydrocyclopenta[A]Phenanthren-3-Yl] (E)-Octadec-9-Enoate; (E)-Octadec-9-Enoic Acid [(3S,5S,9R,10S,13R,17R)-17-[(1R)-1,5-Dimethylhexyl]-10,13-Dimethyl-15-Oxo-1,2,3,4,5,6,7,9,11,12,16,17-Dodecahydrocyclopenta[A]Phenanthren-3-Yl] Ester; (E)-Octadec-9-Enoic Acid [(3S,5S,9R,10S,13R,17R)-17-[(1R)-1,5-Dimethylhexyl]-15-Keto-10,13-Dimethyl-1,2,3,4,5,6,7,9,11,12,16,17-Dodecahydrocyclopenta[A]Phenanthren-3-Yl] Ester
• Molecular Formula: C₄₅H₇₆O₃
• Molecular Weight: 665.09
• CAS Registry Number: 112757-40-1
• SMILES: [C@@H]13[C@@]4([C@@H](CCC1=C2[C@@]([C@H](CC2=O)[C@@H](CCCC(C)C)C)(CC3)C)C[C@@H](OC(=O)CCCCCCC\C=C\CCCCCCCC)CC4)C
• InChI: 1S/C45H76O3/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-25-42(47)48-37-28-30-44(5)36(32-37)26-27-38-39(44)29-31-45(6)40(33-41(46)43(38)45)35(4)24-22-23-34(2)3/h14-15,34-37,39-40H,7-13,16-33H2,1-6H3/b15-14+/t35-,36+,37+,39+,40-,44+,45-/m1/s1
• InChIKey: LRKJKOWMCBGBRK-YREAXYLSSA-N

Properties

• Density: 0.985g/cm³ (Cal.)
• Boiling point: 701.911°C at 760 mmHg (Cal.)
• Flash point: 276.2°C (Cal.)