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Details

Stereochemistry ABSOLUTE
Molecular Formula C21H22O12
Molecular Weight 466.393
Optical Activity UNSPECIFIED
Defined Stereocenters 7 / 7
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of EPICATECHIN-3'-GLUCURONIDE

SMILES

c1cc(c(cc1[C@]2([H])[C@@]([H])(Cc3c(cc(cc3O2)O)O)O)O[C@@]4([H])[C@@]([H])([C@]([H])([C@@]([H])([C@@]([H])(C(=O)O)O4)O)O)O)O

InChI

InChIKey=BUONZQIZWIITTB-CVPXIJHMSA-N
InChI=1S/C21H22O12/c22-8-4-11(24)9-6-12(25)18(31-13(9)5-8)7-1-2-10(23)14(3-7)32-21-17(28)15(26)16(27)19(33-21)20(29)30/h1-5,12,15-19,21-28H,6H2,(H,29,30)/t12-,15+,16+,17-,18-,19+,21-/m1/s1

HIDE SMILES / InChI

Molecular Formula C21H22O12
Molecular Weight 466.393
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 Jun 26 15:22:24 UTC 2021
Edited
by admin
on Sat Jun 26 15:22:24 UTC 2021
Record UNII
95809LUS8A
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
EPICATECHIN-3'-GLUCURONIDE
Common Name English
(2S,3S,4S,5R,6S)-3,4,5-TRIHYDROXY-6-(2-HYDROXY-5-((2R,3R)-3,5,7-TRIHYDROXYCHROMAN-2-YL)PHENOXY)TETRAHYDRO-2H-PYRAN-2-CARBOXYLIC ACID
Systematic Name English
.BETA.-D-GLUCOPYRANOSIDURONIC ACID, 5-((2R,3R)-3,4-DIHYDRO-3,5,7-TRIHYDROXY-2H-1-BENZOPYRAN-2-YL)-2-HYDROXYPHENYL
Common Name English
(-)-EPICATECHIN-3'-.BETA.-D-GLUCURONIDE
Common Name English
(-)-EPICATECHIN 3'-GLUCURONIDE
Common Name English
(-)-EPICATECHIN-3'-O-GLUCURONIDE
Common Name English
(2S,3S,4S,5R,6S)-6-(2,3-DIHYDROXY-5-((2S,3S)-3,5,7-TRIHYDROXY-3,4-DIHYDRO-2H-CHROMEN-2-YL)PHENOXY)-3,4,5-TRIHYDROXYOXANE-2-CARBOXYLIC ACID
Systematic Name English
Code System Code Type Description
PUBCHEM
76969982
Created by admin on Sat Jun 26 15:22:24 UTC 2021 , Edited by admin on Sat Jun 26 15:22:24 UTC 2021
PRIMARY
CAS
603133-91-1
Created by admin on Sat Jun 26 15:22:24 UTC 2021 , Edited by admin on Sat Jun 26 15:22:24 UTC 2021
PRIMARY
FDA UNII
95809LUS8A
Created by admin on Sat Jun 26 15:22:24 UTC 2021 , Edited by admin on Sat Jun 26 15:22:24 UTC 2021
PRIMARY
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