Products 4674-50-4
CAS 4674-50-4 appears in our catalog under these names: Nootkatone, >95% (HPLC), Nootkatone, Nootkatone/ 95.49% (existing batch purity), (+)–Nootkatone, (+)-Nootkatone, crystalline, 98+% . Offered by: TRC, Dr. Ehrenstorfer, TargetMol, GLPBio, Thermo Scientific (Alfa Aesar). Available pack sizes: 1g, 250mg, 5g, 50mg, 100mg, 500mg, 25g, 1mg.
(+)-nootkatone is a sesquiterpenoid that is 4,4a,5,6,7,8-hexahydronaphthalen-2(3H)-one which is substituted by methyl groups at positions 4 and 4a, and by an isopropenyl group at position 6 (the 4R,4aS,6R stereoisomer). It has a role as a fragrance, an insect repellent and a plant metabolite. It is a sesquiterpenoid, a carbobicyclic compound and an enone.
Source: ChEBI
| Molecular formula | C15H22O |
|---|---|
| Molecular weight | 218.33 g/mol |
| IUPAC name | (4R,4aS,6R)-4,4a-dimethyl-6-prop-1-en-2-yl-3,4,5,6,7,8-hexahydronaphthalen-2-one |
| InChIKey | WTOYNNBCKUYIKC-JMSVASOKSA-N |
| SMILES | C[C@@H]1CC(=O)C=C2[C@]1(C[C@@H](CC2)C(=C)C)C |
Computed by PubChem (NCBI)
Synonyms:
NOOTKATONE, (+)-Nootkatone, (4R,4aS,6R)-4,4a-dimethyl-6-prop-1-en-2-yl-3,4,5,6,7,8-hexahydronaphthalen-2-one, 1(10),11-Eremophiladien-2-one, 4Betah,5alpha-eremophila-1(10),11-dien-2-one, 4betaH,5alpha-Eremorphila-1(10)11-dien-2-one, 4,4a,5,6,7,8-Hexahydro-6-isopropenyl-4,4a-dimethyl-2(3H)-naphthalenone, 4a,5-Dimethyl-1,2,3,4,4a,5,6,7-octahydro-7-keto-3-isopropenylnaphthalene, Nootkanone, (+/-)-Nootkatone