Cholesterol Glucuronide
[CAS# 17435-78-8]

Identification

• Name: Cholesterol Glucuronide
• Synonyms: (2S,3S,4S,5R,6R)-6-[[(10R,13R)-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]-3,4,5-Trihydroxy-Tetrahydropyran-2-Carboxylic Acid; (2S,3S,4S,5R,6R)-6-[[(10R,13R)-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]-3,4,5-Trihydroxy-2-Tetrahydropyrancarboxylic Acid; (2S,3S,4S,5R,6R)-6-[[(10R,13R)-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]Oxy]-3,4,5-Trihydroxy-Oxane-2-Carboxylic Acid
• Molecular Formula: C₃₃H₅₄O₇
• Molecular Weight: 562.79
• CAS Registry Number: 17435-78-8
• SMILES: [C@]45(C(C1C([C@@]3(C(=CC1)CC(O[C@@H]2O[C@@H]([C@@H](O)[C@H](O)[C@H]2O)C(=O)O)CC3)C)CC4)CCC5[C@@H](CCCC(C)C)C)C
• InChI: 1S/C33H54O7/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(13-15-32(20,4)25(22)14-16-33(23,24)5)39-31-28(36)26(34)27(35)29(40-31)30(37)38/h9,18-19,21-29,31,34-36H,6-8,10-17H2,1-5H3,(H,37,38)/t19-,21?,22?,23?,24?,25?,26+,27+,28-,29+,31-,32+,33-/m1/s1
• InChIKey: IJLBJBCDNYOWPJ-WWDBQNETSA-N

Properties

• Density: 1.19g/cm³ (Cal.)
• Boiling point: 686.274°C at 760 mmHg (Cal.)
• Flash point: 211.36°C (Cal.)