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CARYOPHYLLENE;(1R,9S,4E)-4,11,11-TRIMETHYL-8-METHYLIDENE-BICYCLO-[7.2.0]-UNDEC-4-ENE;CONFORMER-22A

Compound with spectra: 6 NMR, 3 FTIR, and 6 MS (GC)

CARYOPHYLLENE;(1R,9S,4E)-4,11,11-TRIMETHYL-8-METHYLIDENE-BICYCLO-[7.2.0]-UNDEC-4-ENE;CONFORMER-22A
SpectraBase Compound ID 4DpQUBkCqef
InChI InChI=1S/C15H24/c1-11-6-5-7-12(2)13-10-15(3,4)14(13)9-8-11/h6,13-14H,2,5,7-10H2,1,3-4H3/b11-6-/t13-,14-/m1/s1
InChIKey NPNUFJAVOOONJE-FLFDDASRSA-N
Mol Weight 204.36 g/mol
Molecular Formula C15H24
Exact Mass 204.187801 g/mol
Enantiomer InChIKey NPNUFJAVOOONJE-BJLYVFBQSA-N

View Spectrum of CARYOPHYLLENE;(1R,9S,4E)-4,11,11-TRIMETHYL-8-METHYLIDENE-BICYCLO-[7.2.0]-UNDEC-4-ENE;CONFORMER-22A

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 Prof. L. Mondello (Chromaleont s.r.l./Univ. Messina, Italy)

View Spectrum of CARYOPHYLLENE;(1R,9S,4E)-4,11,11-TRIMETHYL-8-METHYLIDENE-BICYCLO-[7.2.0]-UNDEC-4-ENE;CONFORMER-22A

MS (GC) Spectrum
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Source of Spectrum PR-582-0-0

View Spectrum of CARYOPHYLLENE;(1R,9S,4E)-4,11,11-TRIMETHYL-8-METHYLIDENE-BICYCLO-[7.2.0]-UNDEC-4-ENE;CONFORMER-22A

MS (GC) Spectrum
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Source of Spectrum Annick D. Bossoua, et al. Industrial Crops and Products, V.76, 2015, P.306-317

View Spectrum of CARYOPHYLLENE;(1R,9S,4E)-4,11,11-TRIMETHYL-8-METHYLIDENE-BICYCLO-[7.2.0]-UNDEC-4-ENE;CONFORMER-22A

MS (GC) Spectrum
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Source of Spectrum CBD-17-SM8-3

View Spectrum of CARYOPHYLLENE;(1R,9S,4E)-4,11,11-TRIMETHYL-8-METHYLIDENE-BICYCLO-[7.2.0]-UNDEC-4-ENE;CONFORMER-22A

MS (GC) Spectrum
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Source of Spectrum HRC-20-307-14 (DOI: 10.1002/jhrc.1240200602)

View Spectrum of CARYOPHYLLENE;(1R,9S,4E)-4,11,11-TRIMETHYL-8-METHYLIDENE-BICYCLO-[7.2.0]-UNDEC-4-ENE;CONFORMER-22A

MS (GC) Spectrum
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Source of Spectrum X3-35-424-2

View Spectrum of CARYOPHYLLENE;(1R,9S,4E)-4,11,11-TRIMETHYL-8-METHYLIDENE-BICYCLO-[7.2.0]-UNDEC-4-ENE;CONFORMER-22A

13C NMR Spectrum
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Solvent CDCl3

View Spectrum of CARYOPHYLLENE;(1R,9S,4E)-4,11,11-TRIMETHYL-8-METHYLIDENE-BICYCLO-[7.2.0]-UNDEC-4-ENE;CONFORMER-22A

13C NMR Spectrum
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Solvent CDCl3

View Spectrum of CARYOPHYLLENE;(1R,9S,4E)-4,11,11-TRIMETHYL-8-METHYLIDENE-BICYCLO-[7.2.0]-UNDEC-4-ENE;CONFORMER-22A

13C NMR Spectrum
Copyright Copyright © 2021-2024 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2021 John Wiley & Sons, Inc. All Rights Reserved.
Source of Sample Sigma-Aldrich Co. LLC.
Source of Spectrum Sigma-Aldrich Co. LLC.
Catalog Number W225207
Solvent CDCl3

View Spectrum of CARYOPHYLLENE;(1R,9S,4E)-4,11,11-TRIMETHYL-8-METHYLIDENE-BICYCLO-[7.2.0]-UNDEC-4-ENE;CONFORMER-22A

13C NMR Spectrum
Copyright Copyright © 2021-2024 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2021 John Wiley & Sons, Inc. All Rights Reserved.
Source of Sample Sigma-Aldrich Co. LLC.
Source of Spectrum Sigma-Aldrich Co. LLC.
Catalog Number 437034
Solvent CDCl3

View Spectrum of CARYOPHYLLENE;(1R,9S,4E)-4,11,11-TRIMETHYL-8-METHYLIDENE-BICYCLO-[7.2.0]-UNDEC-4-ENE;CONFORMER-22A

ATR-IR Spectrum
Copyright Copyright © 2018-2024 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2018-2024 John Wiley & Sons, Inc. All Rights Reserved.
Source of Sample Aldrich
Catalog Number W225207

View Spectrum of CARYOPHYLLENE;(1R,9S,4E)-4,11,11-TRIMETHYL-8-METHYLIDENE-BICYCLO-[7.2.0]-UNDEC-4-ENE;CONFORMER-22A

FTIR Spectrum
Copyright Copyright © 2021-2024 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2021 John Wiley & Sons, Inc. All Rights Reserved.
Source of Sample Sigma-Aldrich Co. LLC.
Source of Spectrum Sigma-Aldrich Co. LLC.
Catalog Number W225207
Technique Between salts

View Spectrum of CARYOPHYLLENE;(1R,9S,4E)-4,11,11-TRIMETHYL-8-METHYLIDENE-BICYCLO-[7.2.0]-UNDEC-4-ENE;CONFORMER-22A

FTIR Spectrum
Copyright Copyright © 2018-2024 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2018-2024 John Wiley & Sons, Inc. All Rights Reserved.
Source of Sample Aldrich
Source of Spectrum Sigma-Aldrich Co. LLC.
Catalog Number W225207
Technique Neat

View Spectrum of CARYOPHYLLENE;(1R,9S,4E)-4,11,11-TRIMETHYL-8-METHYLIDENE-BICYCLO-[7.2.0]-UNDEC-4-ENE;CONFORMER-22A

1H NMR Spectrum
Copyright Copyright © 2021-2024 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2021 John Wiley & Sons, Inc. All Rights Reserved.
Source of Sample Sigma-Aldrich Co. LLC.
Source of Spectrum Sigma-Aldrich Co. LLC.
Catalog Number W225207
Solvent CDCl3

View Spectrum of CARYOPHYLLENE;(1R,9S,4E)-4,11,11-TRIMETHYL-8-METHYLIDENE-BICYCLO-[7.2.0]-UNDEC-4-ENE;CONFORMER-22A

1H NMR Spectrum
Copyright Copyright © 2021-2024 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2021 John Wiley & Sons, Inc. All Rights Reserved.
Source of Sample Sigma-Aldrich Co. LLC.
Source of Spectrum Sigma-Aldrich Co. LLC.
Catalog Number 437034
Solvent CDCl3
  • CARYOPHYLLENE;(1R,9S,4E)-4,11,11-TRIMETHYL-8-METHYLIDENE-BICYCLO-[7.2.0]-UNDEC-4-ENE;CONFORMER-22B
  • (1R,4Z,9S)-4,11,11-trimethyl-8-methylene-bicyclo[7.2.0]undec-4-ene
  • beta-Caryophyllene
  • (-)-trans-Caryophyllene
  • (-)-Isocaryophyllene
  • E-Caryophyllene
  • Z-Caryophyllene
  • Caryophyllene(E-)
  • Bicyclo[7.2.0]undec-4-ene, 4,11,11-trimethyl-8-methylene-
  • trans-(1R,9S)-8-Methylene-4,11,11-trimethylbicyclo[7.2.0]undec-4-ene
9b-Caryophyllen
Isocaryophyllene
9-epi-(E)-Caryophyllene
(E)-(1R,9S)-(-)-8-methylene-4,11,11-trimethylbicyclo[7.2.0]undec-4-ene
9-epi-.beta.-Caryophyllene
Z-Caryophyllene
(1R,2S)-1-[(4-Acetoxy-3-oxo)butyl]-4,4-dimethyl-2-(4-formylbut-1-en-2-yl)cyclobutane
METHYL-4-OXO-4,5-SECO-CARYPHYLLEN-5-OATE
3-[(1S,2R)-2-(3-ketobutyl)-3,3-dimethyl-cyclobutyl]but-3-enyl-methyl-cyanamide
4-[(1S,2R)-3,3-dimethyl-2-(3-oxidanylidenebutyl)cyclobutyl]-N'-oxidanyl-pent-4-enimidamide
10,10-Dimethyl-2,6-dimethylenebicyclo[7.2.0]undecane
(1S,8R)-5-Ethyl-9,9-dimethyl-2-methylenebicyclo[6.2.0]decane
CARYOPHYLLA-8(14)-EN-5-ONE
des-4-Methyl-caryophyll-8(14)-en-5-one
METHYL-4-HYDROXY-4,5-SECO-CARYPHYLLEN-5-OATE
(1S,2Z,5Z,9R)-2,6,10,10-Tetramethylbicyclo[7.2.0]undecan-2,5-diene
Title Journal or Book Year
Xenicane Diterpenes Revisited: Thermal (E)?(Z) isomerization and conformational motions. A unifying picture Helvetica Chimica Acta 1994
(E)-(1R,9S)-(-)-8-methylene-4,11,11-trimethylbicyclo[7.2.0]undec-4-ene
Isocaryophyllene
beta-Caryophyllene
9b-Caryophyllen
beta-Caryophyllene
Z-Caryophyllene
CARYOPHYLLENE-(I3)
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