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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

Molecular Formula C38H48O12
Molecular Weight 696.7805
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 Sat Dec 16 09:58:01 GMT 2023
Edited
by admin
on Sat Dec 16 09:58:01 GMT 2023
Record UNII
3H4430NO4A
Record Status Validated (UNII)
Record Version
  • Download
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