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

Details

Stereochemistry ABSOLUTE
Molecular Formula C15H22O
Molecular Weight 218.3346
Optical Activity ( + )
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of (+)-β-Turmerone

SMILES

[H][C@@]1(CCC(=C)C=C1)[C@@H](C)CC(=O)C=C(C)C

InChI

InChIKey=JIJQKFPGBBEJNF-UONOGXRCSA-N
InChI=1S/C15H22O/c1-11(2)9-15(16)10-13(4)14-7-5-12(3)6-8-14/h5,7,9,13-14H,3,6,8,10H2,1-2,4H3/t13-,14+/m0/s1

HIDE SMILES / InChI

Molecular Formula C15H22O
Molecular Weight 218.3346
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 2 / 2
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 18:26:08 GMT 2023
Edited
by admin
on Sat Dec 16 18:26:08 GMT 2023
Record UNII
JJN48395TB
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
(+)-β-Turmerone
Common Name English
(6S)-2-Methyl-6-[(1R)-4-methylene-2-cyclohexen-1-yl]-2-hepten-4-one
Systematic Name English
β-Turmerone
Common Name English
2-Hepten-4-one, 2-methyl-6-[(1R)-4-methylene-2-cyclohexen-1-yl]-, (6S)-
Systematic Name English
Code System Code Type Description
FDA UNII
JJN48395TB
Created by admin on Sat Dec 16 18:26:09 GMT 2023 , Edited by admin on Sat Dec 16 18:26:09 GMT 2023
PRIMARY
PUBCHEM
9815837
Created by admin on Sat Dec 16 18:26:09 GMT 2023 , Edited by admin on Sat Dec 16 18:26:09 GMT 2023
PRIMARY
CAS
170705-10-9
Created by admin on Sat Dec 16 18:26:09 GMT 2023 , Edited by admin on Sat Dec 16 18:26:09 GMT 2023
PRIMARY
CAS
82508-14-3
Created by admin on Sat Dec 16 18:26:09 GMT 2023 , Edited by admin on Sat Dec 16 18:26:09 GMT 2023
NON-SPECIFIC STEREOCHEMISTRY
EPA CompTox
DTXSID001002746
Created by admin on Sat Dec 16 18:26:09 GMT 2023 , Edited by admin on Sat Dec 16 18:26:09 GMT 2023
PRIMARY
Related Record Type Details
PARENT -> CONSTITUENT ALWAYS PRESENT
PARENT -> CONSTITUENT ALWAYS PRESENT