4-​Methyl-​2-​oxo-​2H-​1-​benzopyran-​7-​yl-beta-​D-​glucopyranosiduronic Acid Methyl Ester 2,3,4-Triacetate

Analyte Name

4-Methyl-2-oxo-2H-1-benzopyran-7-yl-beta-D-glucopyranosiduronic Acid Methyl Ester 2,3,4-Triacetate

CAS Number

101014-65-7

Molecular Formula

C23 H24 O12

Molecular Weight

492.43

Accurate Mass

492.127

SMILES

COC(=O)[C@H]1O[C@@H](Oc2ccc3C(=CC(=O)Oc3c2)C)[C@H](OC(=O)C)[C@@H](OC(=O)C)[C@@H]1OC(=O)C

InChI

InChI=1S/C23H24O12/c1-10-8-17(27)34-16-9-14(6-7-15(10)16)33-23-21(32-13(4)26)19(31-12(3)25)18(30-11(2)24)20(35-23)22(28)29-5/h6-9,18-21,23H,1-5H3/t18-,19-,20-,21+,23+/m0/s1

IUPAC

methyl (2S,3S,4S,5R,6S)-3,4,5-triacetyloxy-6-(4-methyl-2-oxochromen-7-yl)oxyoxane-2-carboxylate

Storage Temperature

+4°C

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat

Purity

>95% (HPLC)