EPIGALLOCATECHIN GALLATE 3-STEARATE

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C40H52O12
Molecular Weight	724.8337
Optical Activity	UNSPECIFIED
Defined Stereocenters	2 / 2
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of EPIGALLOCATECHIN GALLATE 3-STEARATE

Structure Search

SMILES

CCCCCCCCCCCCCCCCCC(=O)OC1=CC(=CC(O)=C1O)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=XVGMSMYWFKEPHT-JGBHCADMSA-N

InChI=1S/C40H52O12/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-36(46)50-34-21-26(20-32(45)38(34)48)40(49)52-35-24-28-29(42)22-27(41)23-33(28)51-39(35)25-18-30(43)37(47)31(44)19-25/h18-23,35,39,41-45,47-48H,2-17,24H2,1H3/t35-,39-/m1/s1

HIDE SMILES / InChI

Molecular Formula	C40H52O12
Molecular Weight	724.8337
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 22:17:47 GMT 2025` Edited by `admin` on `Mon Mar 31 22:17:47 GMT 2025`
Record UNII	4EMA34M59L
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

EPIGALLOCATECHIN GALLATE 3-STEARATE

Common Name

English

EGCG 3-STEARATE

Preferred Name

English

(2R,3R)-5,7-DIHYDROXY-2-(3,4,5-TRIHYDROXYPHENYL)CHROMAN-3-YL 3,4-DIHYDROXY-5-(STEAROYLOXY)BENZOATE

Systematic Name

English

Code System Code Type Description

FDA UNII

4EMA34M59L

Created by admin on Mon Mar 31 22:17:47 GMT 2025 , Edited by admin on Mon Mar 31 22:17:47 GMT 2025

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PUBCHEM

76959811

Created by admin on Mon Mar 31 22:17:47 GMT 2025 , Edited by admin on Mon Mar 31 22:17:47 GMT 2025

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