Mono(2-ethyl-5-hydroxyhexyl) Phthalate Acyl Glucuronide
Product Specifications
CAS Number
1217463-85-8
Synonyms
1-[2-(2-Ethyl-5-hydroxyhexyl), 1,2-Benzenedicarboxylate] β-D-Glucopyranuronic Acid
Hazard Statement
No Data Available
Smiles
C(O[C@@H]1O[C@H](C(O)=O)[C@@H](O)[C@H](O)[C@H]1O)(=O)C2=C(C(OCC(CCC(C)O)CC)=O)C=CC=C2
Molecular Formula
C22H30O11
Molecular Weight
470.47
InChI
InChI=1S/C22H30O11/c1-3-12(9-8-11(2)23)10-31-20(29)13-6-4-5-7-14(13)21(30)33-22-17(26)15(24)16(25)18(32-22)19(27)28/h4-7,11-12,15-18,22-26H,3,8-10H2,1-2H3,(H,27,28)/t11?,12?,15?,16-,17+,18-,22-/m0/s1
Additionnal Information
IUPAC name: (2S,3S,5R,6S)-6-((2-(((2-ethyl-5-hydroxyhexyl)oxy)carbonyl)benzoyl)oxy)-3,4,5-trihydroxytetrahydro-2H-pyran-2-carboxylic acid
Shipping Conditions
Room Temperature
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