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Substance Name: Nootkatone, (+/-)-
RN: 28834-25-5
UNII: 3K3OKV2A5A
InChIKey: WTOYNNBCKUYIKC-JMSVASOKSA-N

Molecular Formula

  • C15-H22-O

Molecular Weight

  • 218.3378
 
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Names and Synonyms

Name of Substance

  • Nootkatone, (+/-)-

Synonyms

  • (+/-)-Nootkatone
  • (4RS,4Asr,6RS)-4,4a,5,6,7,8-hexahydro-4,4a-dimethyl-6-(1-methylethenyl)-2(3H)-naphthalenone
  • 2(3H)-Naphthalenone, 4,4a,5,6,7,8-hexahydro-4,4a-dimethyl-6-(1-methylethenyl)-, (4R,4aS,6R)-rel
  • 7betaH-Eremophila-1(10),11-dien-2-one -
  • Nootkatone (+/-)-form [MI]
  • Nootkatone, (+/-)-
  • UNII-3K3OKV2A5A

Registry Numbers

CAS Registry Number

  • 28834-25-5

FDA UNII

  • 3K3OKV2A5A

System Generated Number

  • 0028834255

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[C@@H]1CC(=O)C=C2[C@]1(C[C@@H](CC2)C(=C)C)C