5alpha-Cholestan-3beta-Ol Benzoate
[CAS# 5808-11-7]

Identification

• Name: 5alpha-Cholestan-3beta-Ol Benzoate
• Synonyms: [(3S,5S,8R,9S,10S,13R,14S,17R)-17-[(1R)-1,5-Dimethylhexyl]-10,13-Dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-Tetradecahydro-1H-Cyclopenta[A]Phenanthren-3-Yl] Benzoate; Benzoic Acid [(3S,5S,8R,9S,10S,13R,14S,17R)-17-[(1R)-1,5-Dimethylhexyl]-10,13-Dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-Tetradecahydro-1H-Cyclopenta[A]Phenanthren-3-Yl] Ester; 5.Alpha.-Cholestan-3.Beta.-Ol, Benzoate
• Molecular Formula: C₃₄H₅₂O₂
• Molecular Weight: 492.78
• CAS Registry Number: 5808-11-7
• SMILES: [C@H]23[C@H]1[C@@]([C@H](CC1)[C@@H](CCCC(C)C)C)(CC[C@@H]2[C@@]5([C@@H](CC3)C[C@@H](OC(=O)C4=CC=CC=C4)CC5)C)C
• InChI: 1S/C34H52O2/c1-23(2)10-9-11-24(3)29-16-17-30-28-15-14-26-22-27(36-32(35)25-12-7-6-8-13-25)18-20-33(26,4)31(28)19-21-34(29,30)5/h6-8,12-13,23-24,26-31H,9-11,14-22H2,1-5H3/t24-,26+,27+,28+,29-,30+,31+,33+,34-/m1/s1
• InChIKey: YVXZAWFNDQLXBU-AJQXUMMESA-N

Properties

• Density: 1.029g/cm³ (Cal.)
• Boiling point: 556.47°C at 760 mmHg (Cal.)
• Flash point: 249.821°C (Cal.)