Dihydro Isoferulic Acid-d3 3-O-β-D-Glucuronide

CAS: 1187945-72-7

Ref. TR-D448942

Produktinformation

• Name: Dihydro Isoferulic Acid-d3 3-O-β-D-Glucuronide
• Synonyme: 5-(2-Carboxyethyl)-2-(methox-d3)yphenyl β-D-Glucopyranosiduronic Acid, Dihydroisoferulic Acid-d3 3-O-Glucuronide
• Marke: TRC
• Beschreibung: Applications Labelled Dihydroisoferulic Acid 3-O-β-D-Glucuronide, 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)

Chemische Eigenschaften

• Molekulargewicht: 375.34
• Formel: C₁₆H₁₇D₃O₁₀
• Farbe/Form: Neat
• InChl: 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/i1D3
• InChI Key: InChIKey=OSJGZCUHTGTJHT-XDOKUOKQSA-N
• SMILES: [2H]C([2H])([2H])Oc1ccc(CCC(=O)O)cc1O[C@@H]1O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]1O