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

Details

Stereochemistry ACHIRAL
Molecular Formula C14H20O5
Molecular Weight 268.3056
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of HEPTYL GALLATE

SMILES

CCCCCCCOC(=O)C1=CC(O)=C(O)C(O)=C1

InChI

InChIKey=CMACDBPSYMYMKZ-UHFFFAOYSA-N
InChI=1S/C14H20O5/c1-2-3-4-5-6-7-19-14(18)10-8-11(15)13(17)12(16)9-10/h8-9,15-17H,2-7H2,1H3

HIDE SMILES / InChI

Molecular Formula C14H20O5
Molecular Weight 268.3056
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 02:14:34 GMT 2023
Edited
by admin
on Sat Dec 16 02:14:34 GMT 2023
Record UNII
H83WJU714D
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
HEPTYL GALLATE
Systematic Name English
BENZOIC ACID, 3,4,5-TRIHYDROXY-, HEPTYL ESTER
Systematic Name English
GALLIC ACID, HEPTYL ESTER
Common Name English
Code System Code Type Description
FDA UNII
H83WJU714D
Created by admin on Sat Dec 16 02:14:34 GMT 2023 , Edited by admin on Sat Dec 16 02:14:34 GMT 2023
PRIMARY
EPA CompTox
DTXSID501305028
Created by admin on Sat Dec 16 02:14:34 GMT 2023 , Edited by admin on Sat Dec 16 02:14:34 GMT 2023
PRIMARY
CAS
1030-49-5
Created by admin on Sat Dec 16 02:14:34 GMT 2023 , Edited by admin on Sat Dec 16 02:14:34 GMT 2023
PRIMARY
PUBCHEM
11140124
Created by admin on Sat Dec 16 02:14:34 GMT 2023 , Edited by admin on Sat Dec 16 02:14:34 GMT 2023
PRIMARY