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Details

Stereochemistry EPIMERIC
Molecular Formula C14H24O8
Molecular Weight 320.3356
Optical Activity UNSPECIFIED
Defined Stereocenters 5 / 6
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 2-ETHYLHEXANOIC ACID GLUCURONIDE

SMILES

CCCCC(CC)C(=O)O[C@@H]1O[C@@H]([C@@H](O)[C@H](O)[C@H]1O)C(O)=O

InChI

InChIKey=FZGJYNLYAFIHKR-ADZIFFMNSA-N
InChI=1S/C14H24O8/c1-3-5-6-7(4-2)13(20)22-14-10(17)8(15)9(16)11(21-14)12(18)19/h7-11,14-17H,3-6H2,1-2H3,(H,18,19)/t7?,8-,9-,10+,11-,14-/m0/s1

HIDE SMILES / InChI

Molecular Formula C14H24O8
Molecular Weight 320.3356
Charge 0
Count
Stereochemistry EPIMERIC
Additional Stereochemistry No
Defined Stereocenters 5 / 6
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 14:50:59 GMT 2023
Edited
by admin
on Sat Dec 16 14:50:59 GMT 2023
Record UNII
P60P19CJ6V
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
2-ETHYLHEXANOIC ACID GLUCURONIDE
Common Name English
.BETA.-D-GLUCOPYRANURONIC ACID, 1-(2-ETHYLHEXANOATE)
Common Name English
Code System Code Type Description
PUBCHEM
137321902
Created by admin on Sat Dec 16 14:50:59 GMT 2023 , Edited by admin on Sat Dec 16 14:50:59 GMT 2023
PRIMARY
CAS
118992-95-3
Created by admin on Sat Dec 16 14:50:59 GMT 2023 , Edited by admin on Sat Dec 16 14:50:59 GMT 2023
PRIMARY
FDA UNII
P60P19CJ6V
Created by admin on Sat Dec 16 14:50:59 GMT 2023 , Edited by admin on Sat Dec 16 14:50:59 GMT 2023
PRIMARY