Isourolithin A 9-Glucuronide Sodium Salt

Analyte Name

Isourolithin A 9-Glucuronide Sodium Salt

Molecular Formula

C19 H15 O10 . Na

Molecular Weight

426.31

Accurate Mass

426.0563

SMILES

[Na+].O[C@@H]1[C@@H](O)[C@H](Oc2ccc3C(=O)Oc4cc(O)ccc4c3c2)O[C@@H]([C@H]1O)C(=O)[O-]

InChI

InChI=1S/C19H16O10.Na/c20-7-1-3-9-11-6-8(2-4-10(11)18(26)28-12(9)5-7)27-19-15(23)13(21)14(22)16(29-19)17(24)25;/h1-6,13-16,19-23H,(H,24,25);/q;+1/p-1/t13-,14-,15+,16-,19+;/m0./s1

IUPAC

sodium;(2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-(3-hydroxy-6-oxo-benzo[c]chromen-9-yl)oxy-tetrahydropyran-2-carboxylate

Alternate CAS Number

1268248-75-4

Storage Temperature

-20°C

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat

Purity

>95% (HPLC)