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

Details

Stereochemistry ACHIRAL
Molecular Formula C18H30O2
Molecular Weight 278.4296
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 3
Charge 0

SHOW SMILES / InChI
Structure of Calendic acid

SMILES

CCCCC\C=C/C=C/C=C/CCCCCCC(O)=O

InChI

InChIKey=DQGMPXYVZZCNDQ-KBPWROHVSA-N
InChI=1S/C18H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h6-11H,2-5,12-17H2,1H3,(H,19,20)/b7-6-,9-8+,11-10+

HIDE SMILES / InChI

Approval Year

Name Type Language
Calendic acid
Common Name English
(8E,10E,12Z)-8,10,12-Octadecatrienoic acid
Systematic Name English
Calendulic acid
Common Name English
α-Calendic acid
Common Name English
trans,trans,cis-8,10,12-Octadecatrienoic acid
Systematic Name English
Code System Code Type Description
FDA UNII
DK8G4N35L5
Created by admin on Fri Dec 15 18:32:49 GMT 2023 , Edited by admin on Fri Dec 15 18:32:49 GMT 2023
PRIMARY
PUBCHEM
5282818
Created by admin on Fri Dec 15 18:32:49 GMT 2023 , Edited by admin on Fri Dec 15 18:32:49 GMT 2023
PRIMARY
CAS
5204-87-5
Created by admin on Fri Dec 15 18:32:49 GMT 2023 , Edited by admin on Fri Dec 15 18:32:49 GMT 2023
PRIMARY
WIKIPEDIA
Calendic acid
Created by admin on Fri Dec 15 18:32:49 GMT 2023 , Edited by admin on Fri Dec 15 18:32:49 GMT 2023
PRIMARY
EPA CompTox
DTXSID80897455
Created by admin on Fri Dec 15 18:32:49 GMT 2023 , Edited by admin on Fri Dec 15 18:32:49 GMT 2023
PRIMARY