Cholesterol N-Valerate
[CAS# 7726-03-6]

Identification

• Name: Cholesterol N-Valerate
• 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] Pentanoate; Pentanoic 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; Valeric 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
• Molecular Formula: C₃₂H₅₄O₂
• Molecular Weight: 470.78
• CAS Registry Number: 7726-03-6
• EINECS: 231-773-4
• SMILES: [C@@]34(C)[C@@H]1[C@H]([C@H]2[C@@](CC1)(C)[C@H](CC2)[C@@H](CCCC(C)C)C)CC=C3C[C@H](CC4)OC(CCCC)=O
• InChI: 1S/C32H54O2/c1-7-8-12-30(33)34-25-17-19-31(5)24(21-25)13-14-26-28-16-15-27(23(4)11-9-10-22(2)3)32(28,6)20-18-29(26)31/h13,22-23,25-29H,7-12,14-21H2,1-6H3/t23-,25+,26+,27-,28+,29+,31+,32-/m1/s1
• InChIKey: RWTQCZGAMKTBRV-PTHRTHQKSA-N

Properties

• Density: 0.986g/cm³ (Cal.)
• Boiling point: 529.996°C at 760 mmHg (Cal.)
• Flash point: 271.8°C (Cal.)