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Substance Name: Nootkatone
RN: 4674-50-4
UNII: IZ2Y119N4J
InChIKey: WTOYNNBCKUYIKC-JMSVASOKSA-N

Molecular Formula

  • C15-H22-O

Molecular Weight

  • 218.3378
 
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Names and Synonyms

Results Name

  • Nootkatone

Name of Substance

  • Nootkatone

Synonyms

  • 1(10),11-Eremophiladien-2-one
  • 2(3H)-Naphthalenone, 4,4a,5,6,7,8-hexahydro-4,4a-dimethyl-6-(1-methylethenyl)-, (4R-(4alpha,4aalpha,6beta))-
  • 4,4a,5,6,7,8-Hexahydro-4,4a-dimethyl-6-(1-methylethenyl)-2(3H)-naphthalenone, (4R-(4alpha,4aalpha,6beta))-
  • 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
  • 4Betah,5alpha-eremophila-1(10),11-dien-2-one
  • 4betaH,5alpha-Eremorphila-1(10)11-dien-2-one
  • 5,6-Dimethyl-8-isopropenylbicyclo(4.4.0)dec-1-en-3-one
  • EINECS 225-124-4
  • FEMA No. 3166
  • HSDB 8272
  • Nootkatone
  • Nootkatone (natural)
  • UNII-IZ2Y119N4J

Systematic Names

  • (4R-(4alpha,4aalpha,6beta))-4,4a,5,6,7,8-Hexahydro-4,4a-dimethyl-6-(1-methylvinyl)naphthalen-2(3H)-one
  • 2(3H)-Naphthalenone, 4,4a,5,6,7,8-hexahydro-4,4a-dimethyl-6-(1-methylethenyl)-, (4R,4aS,6R)-

Superlist Name

  • Nootkatone

Registry Numbers

CAS Registry Number

  • 4674-50-4

FDA UNII

  • IZ2Y119N4J

System Generated Number

  • 0004674504

Structure Descriptors

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

InChIKey

WTOYNNBCKUYIKC-JMSVASOKSA-N

Smiles

C=12[C@@](C[C@@H](C(C)=C)CC2)([C@@H](CC(C1)=O)C)C