Cholesterol Phenylacetate
[CAS# 33998-26-4]

Identification

• Name: Cholesterol Phenylacetate
• 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-Phenylacetate; 2-Phenylacetic 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; [(3S,8S,9S,10R,13R,14S,17R)-10,13-Dimethyl-17-[(2R)-6-Methylheptan-2-Yl]-2,3,4,7,8,9,11,12,14,15,16,17-Dodecahydro-1H-Cyclopenta[A]Phenanthren-3-Yl] 2-Phenylethanoate
• Molecular Formula: C₃₅H₅₂O₂
• Molecular Weight: 504.79
• CAS Registry Number: 33998-26-4
• EINECS: 251-781-1
• SMILES: [C@H]5(OC(=O)CC1=CC=CC=C1)CC[C@@]4([C@@H]3[C@H]([C@H]2[C@@]([C@H](CC2)[C@@H](CCCC(C)C)C)(CC3)C)CC=C4C5)C
• InChI: 1S/C35H52O2/c1-24(2)10-9-11-25(3)30-16-17-31-29-15-14-27-23-28(37-33(36)22-26-12-7-6-8-13-26)18-20-34(27,4)32(29)19-21-35(30,31)5/h6-8,12-14,24-25,28-32H,9-11,15-23H2,1-5H3/t25-,28+,29+,30-,31+,32+,34+,35-/m1/s1
• InChIKey: JHFRODPXYCPTCM-WASXNZKASA-N

Properties

• Density: 1.035g/cm³ (Cal.)
• Boiling point: 575.648°C at 760 mmHg (Cal.)
• Flash point: 300.384°C (Cal.)

References

• (1): Y. J. Park. Cholesteryl phenylacetate, Acta Cryst. (2006). E62, o4983-o4985