2,​3,​4-​Triacetate 6-Oxo-​6H-​dibenzo[b,​d]​pyran-​3-​yl beta-​D-​Glucopyranosiduronic Acid Methyl Ester

Analyte Name

2,3,4-Triacetate 6-Oxo-6H-dibenzo[b,d]pyran-3-yl beta-D-Glucopyranosiduronic Acid Methyl Ester

CAS Number

1185745-11-2

Molecular Formula

C26 H24 O12

Molecular Weight

528.462

Accurate Mass

528.127

SMILES

COC(=O)[C@H]1O[C@@H](Oc2ccc3c(OC(=O)c4ccccc34)c2)[C@H](OC(=O)C)[C@@H](OC(=O)C)[C@@H]1OC(=O)C

InChI

InChI=1S/C26H24O12/c1-12(27)33-20-21(34-13(2)28)23(35-14(3)29)26(38-22(20)25(31)32-4)36-15-9-10-17-16-7-5-6-8-18(16)24(30)37-19(17)11-15/h5-11,20-23,26H,1-4H3/t20-,21-,22-,23+,26+/m0/s1

IUPAC

methyl (2S,3S,4S,5R,6S)-3,4,5-triacetyloxy-6-(6-oxobenzo[c]chromen-3-yl)oxyoxane-2-carboxylate

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat