Analyte Name

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

CAS Number

153010-37-8

Molecular Formula

C25 H39 Na O11

Molecular Weight

538.56

Accurate Mass

538.239

SMILES

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

InChI

InChI=1S/C25H40O11.Na/c1-14-15(12-10-8-6-4-5-7-9-11-13-26)16(27)21(33-2)23(34-3)20(14)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

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

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Type

API

Product Format

Neat