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(+)-Nootkatone

Compound with spectra: 1 NMR, 2 FTIR, 1 Raman, and 2 MS (GC)

(+)-Nootkatone
SpectraBase Compound ID IZdsVKKbj3K
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
InChIKey WTOYNNBCKUYIKC-JMSVASOKSA-N
Mol Weight 218.34 g/mol
Molecular Formula C15H22O
Exact Mass 218.167065 g/mol
Enantiomer InChIKey WTOYNNBCKUYIKC-SLEUVZQESA-N

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Raman Spectrum
Copyright Copyright © 2015-2024 John Wiley & Sons, Inc. All Rights Reserved.
Source of Sample TCI Chemicals India Pvt. Ltd.
Source of Spectrum Bio-Rad Laboratories, Inc.
Catalog Number N0920

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FTIR Spectrum
Copyright Copyright © 2015-2024 John Wiley & Sons, Inc. All Rights Reserved.
Source of Sample TCI Chemicals India Pvt. Ltd.
Source of Spectrum Bio-Rad Laboratories, Inc.
Catalog Number N0920
Technique Neat

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ATR-IR Spectrum
Copyright Copyright © 2015-2024 John Wiley & Sons, Inc. All Rights Reserved.
Source of Sample TCI Chemicals India Pvt. Ltd.
Source of Spectrum Bio-Rad Laboratories, Inc.
Catalog Number N0920

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MS (GC) Spectrum
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Source of Spectrum CCC-14-7-2

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MS (GC) Spectrum
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Source of Spectrum FF-37-SM16-13

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13C NMR Spectrum
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Solvent CDCl3
  • (+)-5,6-Dimethyl-8-isopropenylbicyclo[4.4.0]dec-1-en-3-one
  • (+)-4-α,5-Dimethyl-1,2,3,4,4α,5,6,7-octahydro-7-keto-3-isopropenylnaphthalene
  • 4-α,5-Dimethyl-1,2,3,4,4α,5,6,7-octahydro-7-keto-3-isopropenylnaphthalene
  • Nootkatone
4,4A,5,6,7,8-HEXAHYDRO-4,4A-DIMETHYL-6-(1-METHYLETHENYL)-(4R-(4-ALPHA,4A-ALPHA,6-BETA))-2(3H)-NAPHTHALENONE;NOOTKATON
2(3H)-Naphthalenone, 4,4a,5,6,7,8-hexahydro-4,4a-dimethyl-6-(1-methylethenyl)-, [4R-(4.alpha.,4a.alpha.,6.beta.)]-
Nootkatone
(4R,4aS,6R)-6-acetyl-4,4a-dimethyl-3,4,5,6,7,8-hexahydronaphthalen-2-one
.alpha.-Nootkatol
NOOTKATOL;EREMOPHIL-1-(10),11-DIEN-2-OL
.beta.-Nootkatol
[cis-5,6-Dimethyl-bicyclo(4.4.0)dec-1-en-8-yl]-cyclopropenone
1(10),2,11(13)-eremophylatrien-12-oic acid
(REL)-4-BETA,5-BETA,7-BETA-EREMOPHIL-9-EN-12-OIC-ACID
#4;ISOPETASAN;(4AR-CIS)-3,4,4A,5,6,7-HEXAHYDRO-4A,5-DIMETHYL-3-(1-METHYLETHYLIDENE)-2(1H)-NAPHTHALENONE;EREMOPHILA-7(11),9-DIEN-8-ONE;FUKINONE
2(3H)-Naphthalenone, 4,4a,5,6,7,8-hexahydro-4a,5-dimethyl-3-(1-methylethylidene)-, (4ar-cis)-
Title Journal or Book Year
Biotransformation of Citrus Aromatics Nootkatone and Valencene by Microorganisms Chemical and Pharmaceutical Bulletin 2005
2(3H)-Naphthalenone, 4,4a,5,6,7,8-hexahydro-4,4a-dimethyl-6-(1-methylethenyl)-, [4R-(4.alpha.,4a.alpha.,6.beta.)]-
Nootkatone
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