4'-METHYLEPICATECHIN-3'-GLUCURONIDE

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

Structure Search

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=CC(O)=CC(O)=C4C[C@H]3O

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 `Mon Mar 31 22:57:52 GMT 2025` Edited by `admin` on `Mon Mar 31 22:57:52 GMT 2025`
Record UNII	2DF93P5FJY
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

.BETA.-D-GLUCOPYRANOSIDURONIC ACID, 5-((2R,3R)-3,4-DIHYDRO-3,5,7-TRIHYDROXY-2H-1-BENZOPYRAN-2-YL)-2-METHOXYPHENYL

Preferred Name

English

4'-METHYLEPICATECHIN-3'-GLUCURONIDE

Common Name

English

4'-O-METHYLEPICATECHIN-3'-O-.BETA.-D-GLUCURONIDE

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

EPA CompTox

DTXSID901341515

Created by admin on Mon Mar 31 22:57:52 GMT 2025 , Edited by admin on Mon Mar 31 22:57:52 GMT 2025

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FDA UNII

2DF93P5FJY

Created by admin on Mon Mar 31 22:57:52 GMT 2025 , Edited by admin on Mon Mar 31 22:57:52 GMT 2025

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CAS

603133-92-2

Created by admin on Mon Mar 31 22:57:52 GMT 2025 , Edited by admin on Mon Mar 31 22:57:52 GMT 2025

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PUBCHEM

101244286

Created by admin on Mon Mar 31 22:57:52 GMT 2025 , Edited by admin on Mon Mar 31 22:57:52 GMT 2025

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