25-Hydroxycholesteryl Oleate
[CAS# 68947-34-2]

Identification

• Name: 25-Hydroxycholesteryl Oleate
• Synonyms: [(3S,8S,9S,10R,13R,14S,17R)-17-[(1R)-5-Hydroxy-1,5-Dimethyl-Hexyl]-10,13-Dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-Dodecahydro-1H-Cyclopenta[A]Phenanthren-3-Yl] (E)-Octadec-9-Enoate; (E)-Octadec-9-Enoic Acid [(3S,8S,9S,10R,13R,14S,17R)-17-[(1R)-5-Hydroxy-1,5-Dimethylhexyl]-10,13-Dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-Dodecahydro-1H-Cyclopenta[A]Phenanthren-3-Yl] Ester; (E)-Octadec-9-Enoic Acid [(3S,8S,9S,10R,13R,14S,17R)-17-[(1R)-5-Hydroxy-1,5-Dimethyl-Hexyl]-10,13-Dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-Dodecahydro-1H-Cyclopenta[A]Phenanthren-3-Yl] Ester
• Molecular Formula: C₄₅H₇₈O₃
• Molecular Weight: 667.11
• CAS Registry Number: 68947-34-2
• SMILES: [C@H]34[C@H]1[C@@H]([C@@]2(C(=CC1)C[C@@H](OC(=O)CCCCCCC\C=C\CCCCCCCC)CC2)C)CC[C@@]3([C@H](CC4)[C@@H](CCCC(O)(C)C)C)C
• InChI: 1S/C45H78O3/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-24-42(46)48-37-29-32-44(5)36(34-37)25-26-38-40-28-27-39(45(40,6)33-30-41(38)44)35(2)23-22-31-43(3,4)47/h14-15,25,35,37-41,47H,7-13,16-24,26-34H2,1-6H3/b15-14+/t35-,37+,38+,39-,40+,41+,44+,45-/m1/s1
• InChIKey: NVFJCHIJSKNHOQ-CAESHJMXSA-N

Properties

• Density: 0.986g/cm³ (Cal.)
• Boiling point: 699.257°C at 760 mmHg (Cal.)
• Flash point: 239.172°C (Cal.)