Analyte Name

Methyl 1-((2-Benzyloxycarbonxyl)phenyl)-2,3,4-tri-O-acetyl-beta-D-glucopyranuronate

CAS Number

221287-88-3

Molecular Formula

C27 H28 O12

Molecular Weight

544.504

Accurate Mass

544.1581

SMILES

COC(=O)[C@H]1O[C@@H](Oc2ccccc2C(=O)OCc3ccccc3)[C@H](OC(=O)C)[C@@H](OC(=O)C)[C@@H]1OC(=O)C

InChI

InChI=1S/C27H28O12/c1-15(28)35-21-22(36-16(2)29)24(37-17(3)30)27(39-23(21)26(32)33-4)38-20-13-9-8-12-19(20)25(31)34-14-18-10-6-5-7-11-18/h5-13,21-24,27H,14H2,1-4H3/t21-,22-,23-,24+,27+/m0/s1

IUPAC

methyl (2S,3S,4S,5R,6S)-3,4,5-triacetyloxy-6-(2-phenylmethoxycarbonylphenoxy)oxane-2-carboxylate

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat