4-(Ethoxycarbonyl)phenyl 2,3,4-Triacetate β-D-Glucopyranosiduronic Acid Methyl Ester

CAS: 1376574-24-1

Ref. TR-E895078

Product Information

• Name: 4-(Ethoxycarbonyl)phenyl 2,3,4-Triacetate β-D-Glucopyranosiduronic Acid Methyl Ester
• Synonyms: (2S,3R,4S,5S,6S)-2-(4-(ethoxycarbonyl)phenoxy)-6-(methoxycarbonyl)tetrahydro-2H-pyran-3,4,5-triyl triacetate
• Brand: TRC
• Description: Applications 4-(Ethoxycarbonyl)phenyl 2,3,4-Triacetate β-D-Glucopyranosiduronic Acid Methyl Ester is an intermediate in the synthesis of p-Salicylic Acid 4-Glucuronide which is an anthocyanin-derived phenolic acid degraded to form 4' glucuronide of 4-hydroxybenzoic acid during simulated gastrointestinal digestion and in human liver microsome.References Zhang, Q.Z., et al.: Tetrahedron/, 68l, 4194 (2012); Woodward, G.M., et al.: Molec. Nutrition. Food. Res., 55, 378 (2011)

Chemical properties

• Molecular weight: 482.43
• Formula: C₂₂H₂₆O₁₂
• Color/Form: Neat
• InChI: InChI=1S/C22H26O12/c1-6-29-20(26)14-7-9-15(10-8-14)33-22-19(32-13(4)25)17(31-12(3)24)16(30-11(2)23)18(34-22)21(27)28-5/h7-10,16-19,22H,6H2,1-5H3/t16-,17-,18-,19+,22+/m0/s1
• InChI key: InChIKey=XHDREOLFENRGJY-QJPTWQEYSA-N
• SMILES: O=C(Nc1ncnc2c1[nH]c(=O)n2[C@H]1C[C@H](O)[C@@H](CO)O1)c1ccccc1