Cholest-5-En-3beta-Yl 4-Butoxybenzoate
[CAS# 41484-52-0]

Identification

• Name: Cholest-5-En-3beta-Yl 4-Butoxybenzoate
• Synonyms: [(3S,10R,13R,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] 4-Butoxybenzoate; 4-Butoxybenzoic Acid [(3S,10R,13R,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; Cholest-5-En-3Beta-Yl P-Butoxybenzoate
• Molecular Formula: C₃₈H₅₈O₃
• Molecular Weight: 562.87
• CAS Registry Number: 41484-52-0
• EINECS: 255-394-9
• SMILES: [C@]15([C@H](CCC1C2C([C@@]4(C(=CC2)C[C@@H](OC(=O)C3=CC=C(OCCCC)C=C3)CC4)C)CC5)[C@@H](CCCC(C)C)C)C
• InChI: 1S/C38H58O3/c1-7-8-24-40-30-15-12-28(13-16-30)36(39)41-31-20-22-37(5)29(25-31)14-17-32-34-19-18-33(27(4)11-9-10-26(2)3)38(34,6)23-21-35(32)37/h12-16,26-27,31-35H,7-11,17-25H2,1-6H3/t27-,31+,32?,33-,34?,35?,37+,38-/m1/s1
• InChIKey: GFMITXRJKIEHCN-ZPNBHVAPSA-N

Properties

• Density: 1.04g/cm³ (Cal.)
• Boiling point: 628.271°C at 760 mmHg (Cal.)
• Flash point: 276.976°C (Cal.)