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Details

Stereochemistry ABSOLUTE
Molecular Formula C22H24O12
Molecular Weight 480.4188
Optical Activity UNSPECIFIED
Defined Stereocenters 7 / 7
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 4'-METHYLEPICATECHIN-3'-GLUCURONIDE

SMILES

COC1=C(O[C@@H]2O[C@@H]([C@@H](O)[C@H](O)[C@H]2O)C(O)=O)C=C(C=C1)[C@H]3OC4=C(C[C@H]3O)C(O)=CC(O)=C4

InChI

InChIKey=PSOMCIRLFFROES-FDRKUGEKSA-N
InChI=1S/C22H24O12/c1-31-13-3-2-8(19-12(25)7-10-11(24)5-9(23)6-14(10)32-19)4-15(13)33-22-18(28)16(26)17(27)20(34-22)21(29)30/h2-6,12,16-20,22-28H,7H2,1H3,(H,29,30)/t12-,16+,17+,18-,19-,20+,22-/m1/s1

HIDE SMILES / InChI

Molecular Formula C22H24O12
Molecular Weight 480.4188
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 7 / 7
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 10:00:33 GMT 2023
Edited
by admin
on Sat Dec 16 10:00:33 GMT 2023
Record UNII
2DF93P5FJY
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
4'-METHYLEPICATECHIN-3'-GLUCURONIDE
Common Name English
4'-O-METHYLEPICATECHIN-3'-O-.BETA.-D-GLUCURONIDE
Common Name English
.BETA.-D-GLUCOPYRANOSIDURONIC ACID, 5-((2R,3R)-3,4-DIHYDRO-3,5,7-TRIHYDROXY-2H-1-BENZOPYRAN-2-YL)-2-METHOXYPHENYL
Common Name English
(2S,3S,4S,5R,6S)-3,4,5-TRIHYDROXY-6-(2-METHOXY-5-((2R,3R)-3,5,7-TRIHYDROXYCHROMAN-2-YL)PHENOXY)TETRAHYDRO-2H-PYRAN-2-CARBOXYLIC ACID
Systematic Name English
4'-O-METHYL-(-)-EPICATECHIN-3'-GLUCURONIDE
Common Name English
Code System Code Type Description
FDA UNII
2DF93P5FJY
Created by admin on Sat Dec 16 10:00:34 GMT 2023 , Edited by admin on Sat Dec 16 10:00:34 GMT 2023
PRIMARY
CAS
603133-92-2
Created by admin on Sat Dec 16 10:00:34 GMT 2023 , Edited by admin on Sat Dec 16 10:00:34 GMT 2023
PRIMARY
PUBCHEM
101244286
Created by admin on Sat Dec 16 10:00:34 GMT 2023 , Edited by admin on Sat Dec 16 10:00:34 GMT 2023
PRIMARY
Related Record Type Details
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