1H-Cyclopenta[1,3]cyclopropa[1,2]benzene, octahydro-7-methyl-3-methylene-4-(1-methylethyl)-, [3aS-(3aα,3bβ,4β,7α,7aS*)]-

• Formula: C₁₅H₂₄
• Molecular weight: 204.3511
• IUPAC Standard InChI: InChI=1S/C15H24/c1-9(2)12-6-5-11(4)15-8-7-10(3)13(15)14(12)15/h9,11-14H,3,5-8H2,1-2,4H3/t11-,12+,13?,14?,15?/m0/s1 Copy

  
• IUPAC Standard InChIKey: FSRZGYRCMPZNJF-PBWBXLIUSA-N Copy
• CAS Registry Number: 13744-15-5
• Chemical structure:
  This structure is also available as a 2d Mol file or as a computed 3d SD file
  The 3d structure may be viewed using Java or Javascript.
• Stereoisomers:
  • 6-epi-β-Cubebene
• Other names: 1H-Cyclopenta[1,3]cyclopropa[1,2]benzene, 2,3,3aα,3bα,4,5,6,7-octahydro-4α-isopropyl-7β-methyl-3-methylene-; β-Cubebene; β-Cuvebene; 1H-Cyclopenta[1,3]cyclopropa[1,2]benzene, octahydro-7-methyl-3-methylene-4-(1-methylethyl)-, (3aα,3bα,4α,7β,7aR*)-; 1H-Cyclopenta[1,3]cyclopropa[1,2]benzene, octahydro-7-methyl-3-methylene-4-(1-methylethyl)-, (3aS,3bR,4S,7R,7aR)-; beta cubebene
• Permanent link for this species. Use this link for bookmarking this species for future reference.
• Information on this page:
  • Van Den Dool and Kratz RI, non-polar column, custom temperature program
  • References
  • Notes
• Other data available:
  • Mass spectrum (electron ionization)
  • Gas Chromatography
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Van Den Dool and Kratz RI, non-polar column, custom temperature program

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Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.

Data compiled by: NIST Mass Spectrometry Data Center, William E. Wallace, director

References

Go To: Top, Van Den Dool and Kratz RI, non-polar column, custom temperature program, Notes

Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.

Andrade, Sampaio, et al., 2007
Andrade, M.S.; Sampaio, T.S.; Nogueira, P.C.L.; Ribeiro, A.S.; Bittrich, V.; Amaral, M.C.E., Volatile compounds of the leaves, flowers and fruits of Kielmeyera rugosa Choisy (Clusiaceae), Flavour Fragr. J., 2007, 22, 1, 49-52, https://doi.org/10.1002/ffj.1751 . [all data]

Sant'Anna, Fontes, et al., 2007
Sant'Anna, B.M.P.; Fontes, S.P.; Pinto, A.C.; Rezende, C.M., Characterization of woody odorant contributors in copaiba oil (Copaifera multijuga Hayne), J. Braz. Chem. Soc., 2007, 18, 5, 984-989, https://doi.org/10.1590/S0103-50532007000500016 . [all data]

Silva, Oliveira, et al., 2007
Silva, F.G.; Oliveira, C.B.A.; Pinto, J.E.B.P.; Nascimento, V.E.; Santos, S.C.; Seraphin, J.C.; Ferri, P.H., Seasonal Variability in the Essential Oils of Wild and Cultivated Baccharis trimera, J. Braz. Chem. Soc., 2007, 18, 5, 990-997, https://doi.org/10.1590/S0103-50532007000500017 . [all data]

Basile, Senatore, et al., 2006
Basile, A.; Senatore, F.; Gargano, R.; Sorbo, S.; Del Pezzo, M.; Lavitola, A.; Ritieni, A.; Bruno, M.; Spatuzzi, D.; Rigano, D.; Vuotto, M.L., Antibacterial and antioxidant activities in Sideritis italica (Miller) Greuter et Burdet essential oils, J. Ethnopharmacol., 2006, 107, 2, 240-248, https://doi.org/10.1016/j.jep.2006.03.019 . [all data]

Cardeal, da Silva, et al., 2006
Cardeal, Z.L.; da Silva, M.D.R.G.; Marriott, P.J., Comprehensive two-dimensional gas chromatography/mass spectrometric analysis of pepper volatiles, Rapid Commun. Mass Spectrom., 2006, 20, 19, 2823-2836, https://doi.org/10.1002/rcm.2665 . [all data]

Moon, Cliff, et al., 2006
Moon, S.-Y.; Cliff, M.A.; Li-Chan, E.C.Y., Odour-active components of simulated beef flavour analysed by solid phase microextraction and gas chromatography-mass spectrometry and -olfactometry, Food Res. Int., 2006, 39, 3, 294-308, https://doi.org/10.1016/j.foodres.2005.08.002 . [all data]

Sacchetti, Guerrini, et al., 2006
Sacchetti, G.; Guerrini, A.; Noriega, P.; Bianchi, A.; Bruni, R., Essential oil of wild Ocotea quixos (Lam.) Kosterm. (Lauraceae) leaves from Amazonian Ecuador, Flavour Fragr. J., 2006, 21, 4, 674-676, https://doi.org/10.1002/ffj.1648 . [all data]

Suliman F.E.O., Fatope M.O., et al., 2006
Suliman F.E.O.; Fatope M.O.; Al-Saidi S.H.; Al-Kindy S.M.Z.; Marwah R.G., Composition and antimicrobial activity of the essential oil of Pluchea arabica from Oman, Flavour Fragr. J., 2006, 21, 3, 469-471, https://doi.org/10.1002/ffj.1616 . [all data]

Sacchetti, Maietti, et al., 2005
Sacchetti, G.; Maietti, S.; Muzzoli, M.; Scaglianti, M.; Manfredini, S.; Radice, M.; Bruni, R., Comparative evaluation of 11 essential oils of different origin as functional antioxidants, antiradicals and antimicrobials in foods, Food Chem., 2005, 91, 4, 621-632, https://doi.org/10.1016/j.foodchem.2004.06.031 . [all data]

Frizzo, Lorenzo, et al., 2004
Frizzo, C.D.; Lorenzo, D.; Dellacassa, E., Composition and seasonal variation of the essential oils from two mandarin cultivars of Southern Brazil, J. Agric. Food Chem., 2004, 52, 10, 3036-3041, https://doi.org/10.1021/jf030685x . [all data]

Sacchetti, Medici, et al., 2004
Sacchetti, G.; Medici, A.; Maietti, S.; Radice, M.; Muzzoli, M.; Manfredini, S.; Braccioli, E.; Bruni, R., Composition and functional properties of the essential oil of Amazonian basil, Ocimum micranthum Willd., Labiatae in comparison with commercial essential oils, J. Agric. Food Chem., 2004, 52, 11, 3486-3491, https://doi.org/10.1021/jf035145e . [all data]

Kim, Lee, et al., 2003
Kim, T.H.; Lee, S.M.; Kim, Y.-S.; Kim, K.H.; Oh, S.; Lee, H.J., Aroma dilution method using GC injector split ratio for volatile compounds extracted by headspace solid phase microextraction, Food Chem., 2003, 83, 1, 151-158, https://doi.org/10.1016/S0308-8146(03)00221-8 . [all data]

Eri, Khoo, et al., 2000
Eri, S.; Khoo, B.K.; Lech, J.; Hartman, T.G., Direct thermal desorption-gas chromatography and gas chromatography-mass spectrometry profiling of hop (Humulus lupulus L.) essential oils in support of varietal characterization, J. Agric. Food Chem., 2000, 48, 4, 1140-1149, https://doi.org/10.1021/jf9911850 . [all data]

Notes

Go To: Top, Van Den Dool and Kratz RI, non-polar column, custom temperature program, References

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