2-(((4-Methyl-7-Oxyooctyl)Oxy)Carbonyl)Cyclohexanecarboxylic Acid (Mixture of Diastereomers)
Product Code
TRC-M329200
CAS Number
Product Format
Neat
Molecular Formula
C17H28O5
Molecular Weight
312.40
Product Categories
Product Type
MetabolitePurity
>95% (HPLC)
Documentation
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Product Information
Chemical Data
Analyte Name
Cyclohexane-1,2-dicarboxylic acid, mono-(4-methyl-7-oxo octyl)ester
CAS Number
1588520-62-0
Molecular Formula
C17H28O5
Molecular Weight
312.40
Accurate Mass
312.1937
SMILES
CC(CCCOC(=O)C1CCCCC1C(=O)O)CCC(=O)C
InChI
InChI=1S/C17H28O5/c1-12(9-10-13(2)18)6-5-11-22-17(21)15-8-4-3-7-14(15)16(19)20/h12,14-15H,3-11H2,1-2H3,(H,19,20)
IUPAC
2-(4-methyl-7-oxo-octoxy)carbonylcyclohexanecarboxylic acid
Product Data
Storage Temperature
+4°C
Shipping Temperature
Room Temperature
Country of Origin
CANADA
Product Type
Metabolite
Product Format
Neat
Purity
>95% (HPLC)