[2-(5-Carboxy-2-ethylpentylcarboxy)]benzoyl Glucuronide
Product Code
TRC-C178080-25MG
CAS Number
Product Format
Neat
Molecular Formula
C22 H28 O12
Molecular Weight
484.45
Product Categories
Product Information
Chemical Data
Analyte Name
[2-(5-Carboxy-2-ethylpentylcarboxy)]benzoyl Glucuronide
CAS Number
1217463-87-0
Molecular Formula
C22 H28 O12
Molecular Weight
484.45
Accurate Mass
484.158
SMILES
CCC(CCCC(=O)O)COC(=O)c1ccccc1C(=O)O[C@@H]2O[C@@H]([C@@H](O)C(O)[C@H]2O)C(=O)O
InChI
InChI=1S/C22H28O12/c1-2-11(6-5-9-14(23)24)10-32-20(30)12-7-3-4-8-13(12)21(31)34-22-17(27)15(25)16(26)18(33-22)19(28)29/h3-4,7-8,11,15-18,22,25-27H,2,5-6,9-10H2,1H3,(H,23,24)(H,28,29)/t11?,15?,16-,17+,18-,22-/m0/s1
IUPAC
(2S,3S,5R,6S)-6-[2-(5-carboxy-2-ethylpentoxy)carbonylbenzoyl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid
Product Data
Shipping Temperature
Room Temperature
Country of Origin
CANADA
Product Format
Neat
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