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(-)-ACORENONE

Compound with spectra: 1 NMR, and 6 MS (GC)

(-)-ACORENONE
SpectraBase Compound ID 188LohkF7nv
InChI InChI=1S/C15H24O/c1-10(2)13-6-5-12(4)15(13)8-7-11(3)14(16)9-15/h7,10,12-13H,5-6,8-9H2,1-4H3/t12-,13-,15+/m0/s1
InChIKey HBTHUBMUAHAWBC-KCQAQPDRSA-N
Mol Weight 220.36 g/mol
Molecular Formula C15H24O
Exact Mass 220.182715 g/mol
Enantiomer InChIKey HBTHUBMUAHAWBC-NFAWXSAZSA-N

View Spectrum of (-)-ACORENONE

MS (GC) Spectrum
Copyright Database Compilation Copyright © 2023-2024 John Wiley and Sons, Inc. Copyright © 2023-2024 John Wiley and Sons, Inc., Portions Copyright Wiley-VCH GmbH, Adams Library under license from Diablo Analytical. All Rights Reserved.
Source of Spectrum Adams' Essential Oil Components (GC-MS), Version 4

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MS (GC) Spectrum
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Source of Spectrum C-97-5877-0

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MS (GC) Spectrum
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Source of Spectrum D3-1980-358-13

View Spectrum of (-)-ACORENONE

MS (GC) Spectrum
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Source of Spectrum Adams' Essential Oil Components (GC-MS), Version 4

View Spectrum of (-)-ACORENONE

MS (GC) Spectrum
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Source of Spectrum K-109-2820-1b

View Spectrum of (-)-ACORENONE

MS (GC) Spectrum
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Source of Spectrum K-109-2818-1b

View Spectrum of (-)-ACORENONE

13C NMR Spectrum
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Solvent CDCl3
  • 1,4-trans-1,7-cis-acorenone
  • Acorenone B
  • rel-(1S,4S,5R)-1-Isopropyl-4,8-dimethylspiro[4.5]dec-8-en-7-one
Acorenone
(1R,4S,5S)-1,8-dimethyl-4-propan-2-yl-9-spiro[4.5]dec-7-enone
(1S,4S,5S)-1-isopropyl-4,8-dimethylspiro[4,5]dec-8-ene-7-one
(-)-Acorenone B
(Rel.-1S,4R,5R)-4,8-DIMETHYL-1-ISOPROPYLSPIRO[4.5]DEC-8-EN-7-ONE
4-Acoren-3-one
racemic 4-epiacorenone-B
(+)-Acorenone B
Eupho-acorenol B
Trichoacorenol [(1S,4S,5S,7R)-1-Isopropyl-4,8-dimethylspiro[4.5]dec-8-en-7-ol]
(1R,4R,5R,7R)-1-Isopropyl-4,8-dimethyl-spiro[4.5]dec-8-en-7-ol
3(R)-hydroxy-4-acorene
WBVRKDUUNZBZET-AJNGGQMLSA-N
rel-(1S,4R,5S)-1-Isopropyl-4,8-dimethylspiro[4.5]dec-8-en-7-ol
Eupho-acorenol A
Title Journal or Book Year
Positive GABAA Receptor Modulators from Acorus calamus and Structural Analysis of (+)-Dioxosarcoguaiacol by 1D and 2D NMR and Molecular Modeling Journal of Natural Products 2011

This compound is available in the following databases:

KnowItAll NMR Spectral Library
Author: Wiley

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KnowItAll Mass Spectral Library
Author: Wiley

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(-)-Acorenone B
(Rel.-1S,4R,5R)-4,8-DIMETHYL-1-ISOPROPYLSPIRO[4.5]DEC-8-EN-7-ONE
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