Cholest-5-Ene-3beta,19-Diol 3-Acetate 19-(4-Methylbenzenesulfonate)
[CAS# 21072-69-5]

Identification

• Name: Cholest-5-Ene-3beta,19-Diol 3-Acetate 19-(4-Methylbenzenesulfonate)
• Synonyms: [17-(1,5-Dimethylhexyl)-13-Methyl-10-[(4-Methylphenyl)Sulfonyloxymethyl]-2,3,4,7,8,9,11,12,14,15,16,17-Dodecahydro-1H-Cyclopenta[A]Phenanthren-3-Yl] Acetate; Acetic Acid [17-(1,5-Dimethylhexyl)-13-Methyl-10-[(4-Methylphenyl)Sulfonyloxymethyl]-2,3,4,7,8,9,11,12,14,15,16,17-Dodecahydro-1H-Cyclopenta[A]Phenanthren-3-Yl] Ester; [13-Methyl-17-(6-Methylheptan-2-Yl)-10-[(4-Methylphenyl)Sulfonyloxymethyl]-2,3,4,7,8,9,11,12,14,15,16,17-Dodecahydro-1H-Cyclopenta[A]Phenanthren-3-Yl] Ethanoate
• Molecular Formula: C₃₆H₅₄O₅S
• Molecular Weight: 598.88
• CAS Registry Number: 21072-69-5
• SMILES: C1=CC(=CC=C1[S](OCC35C(=CCC4C2C(C(CC2)C(CCCC(C)C)C)(CCC34)C)CC(OC(=O)C)CC5)(=O)=O)C
• InChI: 1S/C36H54O5S/c1-24(2)8-7-9-26(4)32-16-17-33-31-15-12-28-22-29(41-27(5)37)18-21-36(28,34(31)19-20-35(32,33)6)23-40-42(38,39)30-13-10-25(3)11-14-30/h10-14,24,26,29,31-34H,7-9,15-23H2,1-6H3
• InChIKey: CGWSIECQYXYNSI-UHFFFAOYSA-N

Properties

• Density: 1.134g/cm³ (Cal.)
• Boiling point: 659.986°C at 760 mmHg (Cal.)
• Flash point: 352.947°C (Cal.)