Analyte Name

Bisphenol C Mono-beta-D-glucuronide Sodium

Molecular Formula

C22H25O8.Na

Molecular Weight

440.42

Accurate Mass

440.14

SMILES

O[C@H]1[C@H](O)[C@@H](O)[C@H](OC2=CC=C(C(C3=CC=C(O)C=C3)(C)CC)C=C2)O[C@@H]1C(O[Na])=O

InChI

InChI=1S/C22H26O8.Na/c1-3-22(2,12-4-8-14(23)9-5-12)13-6-10-15(11-7-13)29-21-18(26)16(24)17(25)19(30-21)20(27)28;/h4-11,16-19,21,23-26H,3H2,1-2H3,(H,27,28);/q;+1/p-1/t16-,17-,18+,19-,21+,22?;/m0./s1

IUPAC

sodium (2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-(4-(2-(4-hydroxyphenyl)butan-2-yl)phenoxy)tetrahydro-2H-pyran-2-carboxylate

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat