U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS
This repository is under review for potential modification in compliance with Administration directives.

Details

Stereochemistry ABSOLUTE
Molecular Formula C22H34O3
Molecular Weight 346.5036
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 5
Charge 0

SHOW SMILES / InChI
Structure of EPELEUTON

SMILES

CCOC(=O)CCC\C=C/C\C=C/C\C=C/C=C/[C@@H](O)C\C=C/CC

InChI

InChIKey=DJYKWMOPVZGTRJ-PILRRHKESA-N
InChI=1S/C22H34O3/c1-3-5-15-18-21(23)19-16-13-11-9-7-6-8-10-12-14-17-20-22(24)25-4-2/h5-7,10-13,15-16,19,21,23H,3-4,8-9,14,17-18,20H2,1-2H3/b7-6-,12-10-,13-11-,15-5-,19-16+/t21-/m0/s1

HIDE SMILES / InChI

Molecular Formula C22H34O3
Molecular Weight 346.5036
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 1 / 1
E/Z Centers 5
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Record UNII
FA9BPX1T6V
Record Status Validated (UNII)
Record Version