Bisphenol C Mono-beta-D-glucuronide

Analyte Name

Bisphenol C Mono-beta-D-glucuronide

Molecular Formula

C22H26O8

Molecular Weight

418.44

Accurate Mass

418.16

SMILES

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

InChI

InChI=1S/C22H26O8/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)/t16-,17-,18+,19-,21+,22?/m0/s1

IUPAC

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

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat