EPIGALLOCATECHIN 3-O-(3-O-METHYL)GALLATE

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C23H20O11
Molecular Weight	472.3983
Optical Activity	UNSPECIFIED
Defined Stereocenters	2 / 2
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of EPIGALLOCATECHIN 3-O-(3-O-METHYL)GALLATE

Structure Search

SMILES

COC1=C(O)C(O)=CC(=C1)C(=O)O[C@@H]2CC3=C(O[C@@H]2C4=CC(O)=C(O)C(O)=C4)C=C(O)C=C3O

InChI

InChIKey=WVRDOLPMKOCJRJ-DENIHFKCSA-N

InChI=1S/C23H20O11/c1-32-18-5-10(4-16(28)21(18)30)23(31)34-19-8-12-13(25)6-11(24)7-17(12)33-22(19)9-2-14(26)20(29)15(27)3-9/h2-7,19,22,24-30H,8H2,1H3/t19-,22-/m1/s1

HIDE SMILES / InChI

Molecular Formula	C23H20O11
Molecular Weight	472.3983
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	2 / 2
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Mon Mar 31 21:48:12 GMT 2025` Edited by `admin` on `Mon Mar 31 21:48:12 GMT 2025`
Record UNII	O97U9TPY8V
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

(-)-EPIGALLOCATECHIN 3-O-(3-O-METHYLGALLATE)

Preferred Name

English

EPIGALLOCATECHIN 3-O-(3-O-METHYL)GALLATE

Common Name

English

(-)-EPIGALLOCATECHIN-3-O-(3'-O-METHYL)-GALLATE

Common Name

English

BENZOIC ACID, 3,4-DIHYDROXY-5-METHOXY-, 3,4-DIHYDRO-5,7-DIHYDROXY-2-(3,4,5-TRIHYDROXYPHENYL)-2H-1-BENZOPYRAN-3-YL ESTER, (2R-CIS)-

Systematic Name

English

(-)-EPIGALLOCATECHIN-3-O-(3''-O-METHYL)GALLATE (GCG3''ME) (CONSTITUENT OF POWDERED DECAFFEINATED GREEN TEA EXTRACT) [DSC]

Common Name

English

BENZOIC ACID, 3,4-DIHYDROXY-5-METHOXY-, (2R,3R)-3,4-DIHYDRO-5,7-DIHYDROXY-2-(3,4,5-TRIHYDROXYPHENYL)-2H-1-BENZOPYRAN-3-YL ESTER

Systematic Name

English

EGCG3''ME

Common Name

English

Code System Code Type Description

EPA CompTox

DTXSID501273994

Created by admin on Mon Mar 31 21:48:12 GMT 2025 , Edited by admin on Mon Mar 31 21:48:12 GMT 2025

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CAS

83104-87-4

Created by admin on Mon Mar 31 21:48:12 GMT 2025 , Edited by admin on Mon Mar 31 21:48:12 GMT 2025

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PUBCHEM

9804842

Created by admin on Mon Mar 31 21:48:12 GMT 2025 , Edited by admin on Mon Mar 31 21:48:12 GMT 2025

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FDA UNII

O97U9TPY8V

Created by admin on Mon Mar 31 21:48:12 GMT 2025 , Edited by admin on Mon Mar 31 21:48:12 GMT 2025

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