Methyl 4-tert-Octylphenol-glucuronide Triacetate
Product Code
TRC-O293880-1G
Product Format
Neat
Molecular Formula
C27 H38 O10
Molecular Weight
522.585
Product Categories
Product Information
Chemical Data
Analyte Name
Methyl 4-tert-Octylphenol-glucuronide Triacetate
Molecular Formula
C27 H38 O10
Molecular Weight
522.585
Accurate Mass
522.246
SMILES
COC(=O)[C@H]1O[C@@H](Oc2ccc(cc2)C(C)(C)CC(C)(C)C)[C@H](OC(=O)C)[C@@H](OC(=O)C)[C@@H]1OC(=O)C
InChI
InChI=1S/C27H38O10/c1-15(28)33-20-21(34-16(2)29)23(35-17(3)30)25(37-22(20)24(31)32-9)36-19-12-10-18(11-13-19)27(7,8)14-26(4,5)6/h10-13,20-23,25H,14H2,1-9H3/t20-,21-,22-,23+,25+/m0/s1
IUPAC
methyl (2S,3S,4S,5R,6S)-3,4,5-triacetyloxy-6-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]oxane-2-carboxylate
Product Data
Shipping Temperature
Room Temperature
Country of Origin
CANADA
Product Format
Neat