Analyte Name

4-Hydroxy-2-(10-hydroxydecyl)-5,6-dimethoxy-3-methylphenyl Beta-D-Glucuronide Monosodium Salt

CAS Number

153010-32-3

Molecular Formula

C25 H39 O11 . Na

Molecular Weight

538.56

Accurate Mass

538.239

SMILES

[Na+].COc1c(O)c(C)c(CCCCCCCCCCO)c(O[C@@H]2O[C@@H]([C@@H](O)[C@H](O)[C@H]2O)C(=O)[O-])c1OC

InChI

InChI=1S/C25H40O11.Na/c1-14-15(12-10-8-6-4-5-7-9-11-13-26)20(23(34-3)21(33-2)16(14)27)35-25-19(30)17(28)18(29)22(36-25)24(31)32;/h17-19,22,25-30H,4-13H2,1-3H3,(H,31,32);/q;+1/p-1/t17-,18-,19+,22-,25+;/m0./s1

IUPAC

sodium;(2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[4-hydroxy-2-(10-hydroxydecyl)-5,6-dimethoxy-3-methylphenoxy]oxane-2-carboxylate

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat