Cholesterol 5-Methylhexanoate
[CAS# 63019-46-5]

Identification

• Name: Cholesterol 5-Methylhexanoate
• Synonyms: [(3S,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-3-Yl] 5-Methylhexanoate; 5-Methylhexanoic Acid [(3S,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-3-Yl] Ester; 4-06-00-04007 (Beilstein Handbook Reference)
• Molecular Formula: C₃₄H₅₈O₂
• Molecular Weight: 498.83
• CAS Registry Number: 63019-46-5
• SMILES: [C@H]34[C@H]1[C@@H]([C@@]2(C(=CC1)C[C@@H](OC(=O)CCCC(C)C)CC2)C)CC[C@@]3([C@H](CC4)[C@@H](CCCC(C)C)C)C
• InChI: 1S/C34H58O2/c1-23(2)10-8-12-25(5)29-16-17-30-28-15-14-26-22-27(36-32(35)13-9-11-24(3)4)18-20-33(26,6)31(28)19-21-34(29,30)7/h14,23-25,27-31H,8-13,15-22H2,1-7H3/t25-,27+,28+,29-,30+,31+,33+,34-/m1/s1
• InChIKey: XIOQQDDONZKEPI-DYQRUOQXSA-N

Properties

• Density: 0.977g/cm³ (Cal.)
• Boiling point: 550.253°C at 760 mmHg (Cal.)
• Flash point: 284.483°C (Cal.)