U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ABSOLUTE
Molecular Formula C38H48O12
Molecular Weight 696.7805
Optical Activity UNSPECIFIED
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of EPIGALLOCATECHIN GALLATE 4'-PALMITATE

SMILES

CCCCCCCCCCCCCCCC(=O)OC1=C(O)C=C(C=C1O)[C@H]2OC3=C(C[C@H]2OC(=O)C4=CC(O)=C(O)C(O)=C4)C(O)=CC(O)=C3

InChI

InChIKey=VCWNMZDXDWVOJD-YYFXGUOYSA-N
InChI=1S/C38H48O12/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-34(45)50-37-30(43)16-23(17-31(37)44)36-33(22-26-27(40)20-25(39)21-32(26)48-36)49-38(47)24-18-28(41)35(46)29(42)19-24/h16-21,33,36,39-44,46H,2-15,22H2,1H3/t33-,36-/m1/s1

HIDE SMILES / InChI

Approval Year

Name Type Language
EPIGALLOCATECHIN GALLATE 4'-PALMITATE
Common Name English
BENZOIC ACID, 3,4,5-TRIHYDROXY-, (2R,3R)-2-(3,5-DIHYDROXY-4-((1-OXOHEXADECYL)OXY)PHENYL)-3,4-DIHYDRO-5,7-DIHYDROXY-2H-1-BENZOPYRAN-3-YL ESTER
Systematic Name English
EGCG 4'-PALMITATE
Common Name English
Code System Code Type Description
CAS
507453-56-7
Created by admin on Sat Dec 16 09:58:01 GMT 2023 , Edited by admin on Sat Dec 16 09:58:01 GMT 2023
PRIMARY
PUBCHEM
12095326
Created by admin on Sat Dec 16 09:58:01 GMT 2023 , Edited by admin on Sat Dec 16 09:58:01 GMT 2023
PRIMARY
FDA UNII
3H4430NO4A
Created by admin on Sat Dec 16 09:58:01 GMT 2023 , Edited by admin on Sat Dec 16 09:58:01 GMT 2023
PRIMARY