Dihydro Isoferulic Acid 3-O-β-D-Glucuronide

CAS: 1187945-72-7

Ref. TR-D448940

Product Information

• Name: Dihydro Isoferulic Acid 3-O-β-D-Glucuronide
• Synonyms: 5-(2-Carboxyethyl)-2-methoxyphenyl β-D-Glucopyranosiduronic Acid, Dihydroisoferulic Acid 3-O-Glucuronide
• Brand: TRC
• Description: Stability HygroscopicApplications Dihydroisoferulic Acid 3-O-β-D-Glucuronide is the glucuronide conjugate of Dihydroisoferulic Acid (H946365). Dihydroisoferulic Acid 3-O-β-D-Glucuronide is a minor circulating metabolite in human plasma after ingestion of coffee and can be used as a biomarker of coffee consumption.References Fumeaux, R. et al.: Org. Biomol. Chem., 8, 5199 (2010); Stalmach, A. et al.: Drug Metab. Disp., 37, 1749 (2009)

Chemical properties

• Molecular weight: 372.32
• Formula: C₁₆H₂₀O₁₀
• Color/Form: Neat
• InChI: InChI=1S/C16H20O10/c1-24-8-4-2-7(3-5-10(17)18)6-9(8)25-16-13(21)11(19)12(20)14(26-16)15(22)23/h2,4,6,11-14,16,19-21H,3,5H2,1H3,(H,17,18)(H,22,23)/t11-,12-,13+,14-,16+/m0/s1
• InChI key: InChIKey=OSJGZCUHTGTJHT-JHZZJYKESA-N
• SMILES: COc1ccc(CCC(=O)O)cc1O[C@@H]1O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]1O