Monobutyl Phthalate Acyl-b-D-glucuronide Benzyl Ester
Product Code
TRC-M525115
Product Format
Neat
Molecular Formula
C25H28O10
Molecular Weight
488.48
Product Categories
Product Information
Chemical Data
Analyte Name
Monobutyl Phthalate Acyl-beta-D-glucuronide Benzyl Ester
Molecular Formula
C25H28O10
Molecular Weight
488.48
Accurate Mass
488.17
SMILES
O=C(OCCCC)C1=CC=CC=C1C(O[C@@H]2O[C@H](C(OCC3=CC=CC=C3)=O)[C@@H](O)[C@H](O)[C@H]2O)=O
InChI
InChI=1S/C25H28O10/c1-2-3-13-32-22(29)16-11-7-8-12-17(16)23(30)35-25-20(28)18(26)19(27)21(34-25)24(31)33-14-15-9-5-4-6-10-15/h4-12,18-21,25-28H,2-3,13-14H2,1H3/t18-,19-,20+,21-,25-/m0/s1
IUPAC
(2S,3R,4S,5S,6S)-6-((benzyloxy)carbonyl)-3,4,5-trihydroxytetrahydro-2H-pyran-2-yl butyl phthalate
Product Data
Shipping Temperature
Room Temperature
Country of Origin
CANADA
Product Format
Neat