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

Details

Stereochemistry ABSOLUTE
Molecular Formula C17H22O2
Molecular Weight 258.3554
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 3
Charge 0

SHOW SMILES / InChI
Structure of CICUTOXIN

SMILES

CCC[C@@H](O)\C=C\C=C\C=C\C#CC#CCCCO

InChI

InChIKey=FQVNSJQTSOVRKZ-JNRDBWBESA-N
InChI=1S/C17H22O2/c1-2-14-17(19)15-12-10-8-6-4-3-5-7-9-11-13-16-18/h4,6,8,10,12,15,17-19H,2,11,13-14,16H2,1H3/b6-4+,10-8+,15-12+/t17-/m1/s1

HIDE SMILES / InChI

Approval Year