Product Code
TRC-Z146010-100MG
Product Format
Neat
Molecular Formula
C23H22O9S
Molecular Weight
474.48
Product Categories
Alternate CAS Number
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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
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