(3beta)-Cholest-5-En-3-Ol 3-Heptanoate
[CAS# 1182-07-6]

Identification

• Name: (3beta)-Cholest-5-En-3-Ol 3-Heptanoate
• 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] Heptanoate; Heptanoic 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; Enanthic 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: C₃₄H₅₈O₂
• Molecular Weight: 498.83
• CAS Registry Number: 1182-07-6
• EINECS: 214-654-1
• SMILES: [C@@H]4(CC[C@]1(C(=CC[C@@H]2[C@@H]1CC[C@]3([C@H]2CC[C@@H]3[C@H](C)CCCC(C)C)C)C4)C)OC(CCCCCC)=O
• InChI: 1S/C34H58O2/c1-7-8-9-10-14-32(35)36-27-19-21-33(5)26(23-27)15-16-28-30-18-17-29(25(4)13-11-12-24(2)3)34(30,6)22-20-31(28)33/h15,24-25,27-31H,7-14,16-23H2,1-6H3/t25-,27+,28+,29-,30+,31+,33+,34-/m1/s1
• InChIKey: KXWDMNPRHKRGKB-DYQRUOQXSA-N

Properties

• Density: 0.979g/cm³ (Cal.)
• Melting point: 113°C (Expl.)
• Boiling point: 553.507°C at 760 mmHg (Cal.)
• Flash point: 286.521°C (Cal.)