Cholest-5-en-3beta-yl isobutyrate
[CAS# 1180-43-4]

Identification

• Name: Cholest-5-en-3beta-yl isobutyrate
• 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] 2-Methylpropanoate; 2-Methylpropanoic 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; 2-Methylpropionic 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: C₃₁H₅₂O₂
• Molecular Weight: 456.75
• CAS Registry Number: 1180-43-4
• EINECS: 214-651-5
• SMILES: [C@H]4(OC(=O)C(C)C)CC[C@@]3([C@@H]2[C@H]([C@H]1[C@@]([C@H](CC1)[C@@H](CCCC(C)C)C)(CC2)C)CC=C3C4)C
• InChI: 1S/C31H52O2/c1-20(2)9-8-10-22(5)26-13-14-27-25-12-11-23-19-24(33-29(32)21(3)4)15-17-30(23,6)28(25)16-18-31(26,27)7/h11,20-22,24-28H,8-10,12-19H2,1-7H3/t22-,24+,25+,26-,27+,28+,30+,31-/m1/s1
• InChIKey: PUUPGXQPWDWTPH-GTPODGLVSA-N

Properties

• Density: 0.988g/cm³ (Cal.)
• Boiling point: 514.521°C at 760 mmHg (Cal.)
• Flash point: 262.111°C (Cal.)