4-Acetamidophenyl2, 3, 4-tri-O-acetyl-b-D-glucuronidemethylester, CAS:30824-21-6

4-Acetamidophenyl-2,3,4-tri-O-acetyl-b-D-glucuronide methyl ester, CAS Number30824-21-6Product Name4-Acetamidophenyl-2,3,4-tri-O-acetyl-b-D-glucuronide methyl esterIUPAC Namemethyl (2S,3S,4S,5R,6S)-6-(4-acetamidophenoxy)-3,4,5-triacetyloxyoxane-2-carboxylateMolecular FormulaC21H25NO11Molecular Weight467.42 g/molInChIInChI=1S/C21H25NO11/c1-10(23)22-14-6-8-15(9-7-14)32-21-19(31-13(4)26)17(30-12(3)25)16(29-11(2)24)18(33-21)20(27)28-5/h6-9,16-19,21H,1-5H3,(H,22,23)/t16-,17-,18-,19+,21+/m0/s1InChI KeyCGFRFKWGBUUPFU-VDRZXAFZSA-NSMILESCC(=O)NC1=CC=C(C=C1)OC2C(C(C(C(O2)C(=O)OC)OC(=O)C)OC(=O)C)OC(=O)CSynonyms4-(Acetylamino)phenyl ?-D-Glucopyranosiduronic Acid Methyl Ester 2,3,4-Triacetate; p-Acetamidophenyl ?-D-Glucopyranosiduronic Acid Methyl Ester 2,3,4-TriacetateCanonical SMILESCC(=O)NC1=CC=C(C=C1)OC2C(C(C(C(O2)C(=O)OC)OC(=O)C)OC(=O)C)OC(=O)CIsomeric SMILESCC(=O)NC1=CC=C(C=C1)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)C(=O)OC)OC(=O)C)OC(=O)C)OC(=O)C
CAS No: 30824-21-6 Synonyms: 4-Acetamidophenyl-triacetyl-b-D-glucuronic acid methyl ester MDL No: MFCD03701110 Chemical Formula: C21H25NO11 Molecular Weight: 467.42References: 1. Calder I., et al.,, J. Med. Chem., 181, 24, p988