(3alpha,5alpha,8xi,9xi,14xi,17xi,20R)-Cholestan-3-Yl Benzoate
[CAS# 6030-70-2]

Identification

• Name: (3alpha,5alpha,8xi,9xi,14xi,17xi,20R)-Cholestan-3-Yl Benzoate
• Synonyms: 5-α-CHOLESTAN-3-α-YL BENZOATE; EPICHOLESTANYL BENZOATE
• Molecular Formula: C₃₄H₅₂O₂
• Molecular Weight: 492.78
• CAS Registry Number: 6030-70-2
• SMILES: C[C@H](CCCC(C)C)C1CCC2[C@@]1(CCC3C2CC[C@@H]4[C@@]3(CC[C@H](C4)OC(=O)c5ccccc5)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-YVYPUYPBSA-N

Properties

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