1-O-Gemfibrozil-beta-D-glucuronide
[CAS# 91683-38-4]

Identification

• Name: 1-O-Gemfibrozil-beta-D-glucuronide
• Synonyms: (2S,3S,4S,5R,6S)-6-[5-(2,5-Dimethylphenoxy)-2,2-Dimethyl-Pentanoyl]Oxy-3,4,5-Trihydroxy-Tetrahydropyran-2-Carboxylic Acid; (2S,3S,4S,5R,6S)-6-[5-(2,5-Dimethylphenoxy)-2,2-Dimethyl-1-Oxopentoxy]-3,4,5-Trihydroxy-2-Tetrahydropyrancarboxylic Acid; (2S,3S,4S,5R
• Molecular Formula: C₂₁H₃₀O₉
• Molecular Weight: 426.46
• CAS Registry Number: 91683-38-4
• SMILES: [C@@H]2(OC(C(CCCOC1=C(C=CC(=C1)C)C)(C)C)=O)O[C@@H]([C@H]([C@@H]([C@H]2O)O)O)C(=O)O
• InChI: 1S/C21H30O9/c1-11-6-7-12(2)13(10-11)28-9-5-8-21(3,4)20(27)30-19-16(24)14(22)15(23)17(29-19)18(25)26/h6-7,10,14-17,19,22-24H,5,8-9H2,1-4H3,(H,25,26)/t14-,15-,16+,17-,19-/m0/s1
• InChIKey: CJMNXSKEVNPQOK-LVEJAMMSSA-N

Properties

• Density: 1.33g/cm³ (Cal.)
• Boiling point: 611.172°C at 760 mmHg (Cal.)
• Flash point: 208.406°C (Cal.)