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 ACHIRAL
Molecular Formula C19H28O3
Molecular Weight 304.4238
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of (8)-SHOGAOL

SMILES

CCCCCCC\C=C\C(=O)CCC1=CC(OC)=C(O)C=C1

InChI

InChIKey=LGZSMXJRMTYABD-MDZDMXLPSA-N
InChI=1S/C19H28O3/c1-3-4-5-6-7-8-9-10-17(20)13-11-16-12-14-18(21)19(15-16)22-2/h9-10,12,14-15,21H,3-8,11,13H2,1-2H3/b10-9+

HIDE SMILES / InChI

Molecular Formula C19H28O3
Molecular Weight 304.4238
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 1
Optical Activity NONE

Approval Year

Substance Class Chemical
Record UNII
AV4IK2HCNT
Record Status Validated (UNII)
Record Version