3-(Acetyloxy)-5-iodophenol-2’,3’,4’-tri-O-acetyl-Beta-D-glucuronide Methyl Ester
Product Code
TRC-A166000
CAS Number
Product Format
Neat
Molecular Formula
C21 H23 I O12
Molecular Weight
594.305
Product Categories
Documentation
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Product Information
Chemical Data
Analyte Name
3-(Acetyloxy)-5-iodophenol-2',3',4'-tri-O-acetyl-beta-D-glucuronide Methyl Ester
CAS Number
490028-21-2
Molecular Formula
C21 H23 I O12
Molecular Weight
594.305
Accurate Mass
594.023
SMILES
COC(=O)[C@H]1O[C@@H](Oc2cc(I)cc(OC(=O)C)c2)[C@H](OC(=O)C)[C@@H](OC(=O)C)[C@@H]1OC(=O)C
InChI
InChI=1S/C21H23IO12/c1-9(23)29-14-6-13(22)7-15(8-14)33-21-19(32-12(4)26)17(31-11(3)25)16(30-10(2)24)18(34-21)20(27)28-5/h6-8,16-19,21H,1-5H3/t16-,17-,18-,19+,21+/m0/s1
IUPAC
methyl (2S,3S,4S,5R,6S)-3,4,5-triacetyloxy-6-(3-acetyloxy-5-iodophenoxy)oxane-2-carboxylate
Product Data
Storage Temperature
-20°C
Shipping Temperature
Room Temperature
Country of Origin
CANADA
Product Format
Neat
Product Description
Intermediate for the synthesis of glucuronide conjugates of trans-Resveratrol
References: Learmonth, D.A., et al.: Bioconjug. Chem., 14, 262 (2003),
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