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Details

Stereochemistry ACHIRAL
Molecular Formula C68H106O12
Molecular Weight 1115.562
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 3
Charge 0

SHOW SMILES / InChI
Structure of DIGALLOYL TRIOLEATE

SMILES

CCCCCCCC\C=C/CCCCCCCC(=O)OC1=CC(=CC(OC(=O)CCCCCCC\C=C/CCCCCCCC)=C1OC(=O)CCCCCCC\C=C/CCCCCCCC)C(=O)OC2=CC(=CC(O)=C2O)C(O)=O

InChI

InChIKey=HMKKFLSUPRUBOO-IUPFWZBJSA-N
InChI=1S/C68H106O12/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-62(70)77-60-54-57(68(76)79-59-53-56(67(74)75)52-58(69)65(59)73)55-61(78-63(71)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2)66(60)80-64(72)51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3/h25-30,52-55,69,73H,4-24,31-51H2,1-3H3,(H,74,75)/b28-25-,29-26-,30-27-

HIDE SMILES / InChI

Molecular Formula C68H106O12
Molecular Weight 1115.562
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 3
Optical Activity NONE

Digalloyl trioleate used in personal care products as an UV absorbing agent, possessed anti-oxidizing, dispersing abilities. It;s no longer available as it apparently exhibits a poor UV absorbtion profile. Researchers from the Institute of Pharmacology and Toxicology at the University of Zurich, Switzerland have found that five out of six commonly used chemical sunscreens dose the body with synthetic estrogens. And harmful chemical sunscreens include digalloyl trioleate is banned by the European Union.

Approval Year

Conditions

Conditions

ConditionModalityTargetsHighest PhaseProduct
Patents

Sample Use Guides

In Vivo Use Guide
Unknown
Route of Administration: Unknown
In Vitro Use Guide
Unknown
Substance Class Chemical
Created
by admin
on Fri Dec 15 15:25:21 GMT 2023
Edited
by admin
on Fri Dec 15 15:25:21 GMT 2023
Record UNII
PGQ9BY2MDE
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
DIGALLOYL TRIOLEATE
INCI   USAN  
INCI   USAN  
Official Name English
DIGALLOYL TRIOLEATE [USAN]
Common Name English
Oleic acid, triester with gallic acid, 3-ester with gallic acid
Common Name English
DIGALLOYL TRIOLEATE [INCI]
Common Name English
GALLIC ACID, 3-GALLATE, TRIOLEATE
Common Name English
Classification Tree Code System Code
NCI_THESAURUS C851
Created by admin on Fri Dec 15 15:25:21 GMT 2023 , Edited by admin on Fri Dec 15 15:25:21 GMT 2023
Code System Code Type Description
FDA UNII
PGQ9BY2MDE
Created by admin on Fri Dec 15 15:25:21 GMT 2023 , Edited by admin on Fri Dec 15 15:25:21 GMT 2023
PRIMARY
CAS
17048-39-4
Created by admin on Fri Dec 15 15:25:21 GMT 2023 , Edited by admin on Fri Dec 15 15:25:21 GMT 2023
PRIMARY
EPA CompTox
DTXSID601009857
Created by admin on Fri Dec 15 15:25:21 GMT 2023 , Edited by admin on Fri Dec 15 15:25:21 GMT 2023
PRIMARY
PUBCHEM
46174130
Created by admin on Fri Dec 15 15:25:21 GMT 2023 , Edited by admin on Fri Dec 15 15:25:21 GMT 2023
PRIMARY
NCI_THESAURUS
C76988
Created by admin on Fri Dec 15 15:25:21 GMT 2023 , Edited by admin on Fri Dec 15 15:25:21 GMT 2023
PRIMARY
ChEMBL
CHEMBL2108453
Created by admin on Fri Dec 15 15:25:21 GMT 2023 , Edited by admin on Fri Dec 15 15:25:21 GMT 2023
PRIMARY