Nootkatone

enlarge

Systematic / IUPAC Name: 6-Isopropenyl-4,4a-dimethyl-4,4a,5,6,7,8-hexahydro-2(3H)-naphthalenone

ID: Reference842

Other Names: (4R,4aS,6R)-4,4a-Dimethyl-6-(prop-1-en-2-yl)-4,4a,5,6,7,8-hexahydronaphthalen-2(3H)-one;
(4R,4aS,6R)-6-Isopropenyl-4,4a-dimethyl-4,4a,5,6,7,8-hexahydro-3H-naphthalen-2-one;
2(3H)-Naphthalenone, 4,4a,5,6,7,8-hexahydro-4,4a-dimethyl-6-(1-methylethenyl)-, [4R-(4α,4aα,6β)]-;
(+)-Nootkatone;
4βh,5α-Eremophila-1(10),11-dien-2-one

Formula: C15H22O

Class: Endogenous Metabolites

Spectral Data

Nootkatone mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.

View Mass Spectra

Available MS Data

Used Instruments Q Exactive Orbitrap
No. of Spectral Trees 1
No. of Spectra 71
Tandem Spectra MS1, MS2
Ionization Methods ESI
Analyzers FT
Last Modification 3/16/2015 3:08:35 PM
View Mass Spec Data > >

Identificators

InChI InChI=1S/C15H22O/c1-10(2)12-5-6-13-8-14(16)7-11(3)15(13,4)9-12/h8,11-12H,1,5-7,9H2,2-4H3/t11-,12-,15+/m1/s1
InChI Key WTOYNNBCKUYIKC-JMSVASOKSA-N
Canonical SMILES
CAS 4674504
Splash
Other Names (4R,4aS,6R)-4,4a-Dimethyl-6-(prop-1-en-2-yl)-4,4a,5,6,7,8-hexahydronaphthalen-2(3H)-one;
(4R,4aS,6R)-6-Isopropenyl-4,4a-dimethyl-4,4a,5,6,7,8-hexahydro-3H-naphthalen-2-one;
2(3H)-Naphthalenone, 4,4a,5,6,7,8-hexahydro-4,4a-dimethyl-6-(1-methylethenyl)-, [4R-(4α,4aα,6β)]-;
(+)-Nootkatone;
4βh,5α-Eremophila-1(10),11-dien-2-one

In Other Databases

PubChem 1268142
ChemSpider 1064812
KEGG C17914
ChEMBL CHEMBL446299
Wikipedia Nootkatone