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 C14H16
Molecular Weight 184.2768
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of CHAMAZULENE

SMILES

CCC1=CC2=C(C)C=CC2=C(C)C=C1

InChI

InChIKey=GXGJIOMUZAGVEH-UHFFFAOYSA-N
InChI=1S/C14H16/c1-4-12-7-5-10(2)13-8-6-11(3)14(13)9-12/h5-9H,4H2,1-3H3

HIDE SMILES / InChI

Molecular Formula C14H16
Molecular Weight 184.2768
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

PubMed

Substance Class Chemical
Record UNII
Z439UH6E5F
Record Status Validated (UNII)
Record Version