Analyte Name

Zaltoprofen beta-D-Glucuronide

Molecular Formula

C23H22O9S

Molecular Weight

474.48

Accurate Mass

474.1

SMILES

CC(C1=CC2=C(SC3=CC=CC=C3C(C2)=O)C=C1)C(O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)C(O)=O)O)O)O)=O

InChI

InChI=1S/C23H22O9S/c1-10(22(30)32-23-19(27)17(25)18(26)20(31-23)21(28)29)11-6-7-15-12(8-11)9-14(24)13-4-2-3-5-16(13)33-15/h2-8,10,17-20,23,25-27H,9H2,1H3,(H,28,29)/t10?,17-,18-,19+,20-,23-/m0/s1

IUPAC

(2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-((2-(10-oxo-10,11-dihydrodibenzo[b,f]thiepin-2-yl)propanoyl)oxy)tetrahydro-2H-pyran-2-carboxylic acid

Alternate CAS Number

1332880-63-3 αS stereoisomer; 1332880-64-4 αR stereoisomer

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat