Cholest-5-en-3beta-yl hydrogen phthalate
[CAS# 6732-01-0]

Identification

• Name: Cholest-5-en-3beta-yl hydrogen phthalate
• Synonyms: 2-[[(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]Oxycarbonyl]Benzoic Acid; 2-[[(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]Oxy-Oxomethyl]Benzoic Acid; Cholest-5-En-3Beta-Yl Hydrogen Phthalate
• Molecular Formula: C₃₅H₅₀O₄
• Molecular Weight: 534.78
• CAS Registry Number: 6732-01-0
• EINECS: 229-783-9
• SMILES: [C@H]45[C@H]1[C@@H]([C@@]3(C(=CC1)C[C@@H](OC(=O)C2=C(C(=O)O)C=CC=C2)CC3)C)CC[C@@]4([C@H](CC5)[C@@H](CCCC(C)C)C)C
• InChI: 1S/C35H50O4/c1-22(2)9-8-10-23(3)29-15-16-30-28-14-13-24-21-25(17-19-34(24,4)31(28)18-20-35(29,30)5)39-33(38)27-12-7-6-11-26(27)32(36)37/h6-7,11-13,22-23,25,28-31H,8-10,14-21H2,1-5H3,(H,36,37)/t23-,25+,28+,29-,30+,31+,34+,35-/m1/s1
• InChIKey: DNRPYEJJPBQNQB-MMFRCHASSA-N

Properties

• Density: 1.111g/cm³ (Cal.)
• Melting point: 163°C (Expl.)
• Boiling point: 631.757°C at 760 mmHg (Cal.)
• Flash point: 191.761°C (Cal.)