Naphthalene, 1,2,4a,5,6,8a-hexahydro-4,7-dimethyl-1-(1-methylethyl)-, [1S-(1α,4aβ,8aα)]-

• Formula: C₁₅H₂₄
• Molecular weight: 204.3511
• IUPAC Standard InChI: InChI=1S/C15H24/c1-10(2)13-8-6-12(4)14-7-5-11(3)9-15(13)14/h6,9-10,13-15H,5,7-8H2,1-4H3/t13-,14-,15+/m1/s1 Copy

  
• IUPAC Standard InChIKey: QMAYBMKBYCGXDH-KFWWJZLASA-N Copy
• CAS Registry Number: 24406-05-1
• 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:
  • α-Muurolene
  • (1R,4aS,8aR)-1-Isopropyl-4,7-dimethyl-1,2,4a,5,6,8a-hexahydronaphthalene
  • α-Muurolene
  • Naphthalene, 1,2,4a,5,6,8a-hexahydro-4,7-dimethyl-1-(1-methylethyl)-
  • 7-epi-α-Cadinene
  • Muurola-4,9-diene
  • Amorphene
  • +α-Amorphene
  • epi- α-Muurolene
  • Zizanene
  • β-Amorphene
• Other names: α-Cadinene; [1s-(1a,4ab,8aa)]-1,2,4a,5,6,8a-Hexahydro-4,7-dimethyl-1-(1methylethyl)-naphthalene; (1S,4aR,8aR)-1-Isopropyl-4,7-dimethyl-1,2,4a,5,6,8a-hexahydronaphthalene; Naphthalene, 1,2,4a,5,6,8a-hexahydro-4,7-dimethyl-1-(1-methylethyl)-, (1S,4aR,8aR)-; (-)-α-Cadinene; α-Cadinene, (-)-; Cadina-4,9-diene-, (-)-
• Permanent link for this species. Use this link for bookmarking this species for future reference.
• Information on this page:
  • Mass spectrum (electron ionization)
  • Gas Chromatography
  • References
  • Notes
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Mass spectrum (electron ionization)

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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

Spectrum

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Additional Data

Gas Chromatography

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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

Normal alkane RI, non-polar column, isothermal

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Normal alkane RI, non-polar column, temperature ramp

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Normal alkane RI, non-polar column, custom temperature program

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Normal alkane RI, polar column, temperature ramp

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References

Go To: Top, Mass spectrum (electron ionization), Gas Chromatography, Notes

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

Hemmateenejad, Jawadnia, et al., 2007
Hemmateenejad, B.; Jawadnia, K.; Elyasi, M., Quantitative structure - retention relationship for the Kovats retention indices of a large set of terpenes: a comdined data splitting-feature selection strategy, Anal. Chim. Acta, 2007, 592, 1, 72-81, https://doi.org/10.1016/j.aca.2007.04.009 . [all data]

Kahriman, Tosun, et al., 2011
Kahriman, N.; Tosun, G.; Terzioglu, S.; Karaoglu, S.A.; Yayh, N., Chemical composition and antimicrobial activity of the essential oils from the flower, leaf, and stem of Senecio pandurifolis, Rec. Nat. Prod., 2011, 5, 2, 82-91. [all data]

Karimi, Farmani, et al., 2011
Karimi, H.; Farmani, A.; Nourizadeh, H., A performance comparison of modern statistical technique for molecular descriptor selection and retention prediction of essential oil from leaves, Amer. J. Sci. Res., 2011, 38, 36-40. [all data]

Nadim, Malik, et al., 2011
Nadim, M.M.; Malik, A.A.; Ahmad, J.; Bakshi, S.K., The essential oil composition of Achillea millefolium L. cultivated under tropical conditions in India, World J. Agricultural Sci., 2011, 7, 5, 561-565. [all data]

Cavar, Maksimovic, et al., 2010
Cavar, S.; Maksimovic, M.; Solic, M.E., Comparison of essential oil composition of Stachys menthufolia Vis. from two natural habitas in Croatia, Biologica Nyssana, 2010, 1, 1-2, 99-103. [all data]

Ho, Wang, et al., 2010
Ho, C.-L.; Wang, E.I.-C.; Yu, H.-T.; Yu, H.-M.; Su, Y.-C., Composition amd antioxidant activities of essential oils of different tissues from Cryptomeria japonica D. Don, Quarterly J. Chin. Forestry, 2010, 32, 1, 63-76. [all data]

Monsef-Esfahani, Miri, et al., 2010
Monsef-Esfahani, H.R.; Miri, A.; Amini, M.; Amanzadeh, Y.; Hadjiakhoondi, A.; Hajiaghaee, R.; Ajani, Y., Seasonal variations in the chemical composition, antioxidant activity and total phenolic content of Teucrium persicum Boiss. essential oils, Res. J. Biol. Sci., 2010, 5, 7, 492-498, https://doi.org/10.3923/rjbsci.2010.492.498 . [all data]

Pripdeevech, Chumpolsri, et al., 2010
Pripdeevech, P.; Chumpolsri, W.; Suttiarporn, P.; Wongpornchai, S., The chemical composition and antioxidant activities of Basil from Thailand using retention indices and comprehensive two-dimensional gas chromatography, J. Seb. Chem. Soc., 2010, 75, 11, 1503-1513, https://doi.org/10.2298/JSC100203125P . [all data]

Radulovic, Blagojevic, et al., 2010
Radulovic, N.; Blagojevic, P.; Palic, R., Comparative study of the leaf volatiles of Arctostaphylos uva-ursi (L.) Spreng. and Vaccinium vitis-idaea L. (Ericaceae), Molecules, 2010, 15, 9, 6168-6185, https://doi.org/10.3390/molecules15096168 . [all data]

Radulovic, Dordevic, et al., 2010
Radulovic, N.S.; Dordevic, N.D.; Palic, R.M., Volatiles of Pleurospermum austriacum (L.) Hoffm. (Apiaceae), J. Serbian Chem. Soc., 2010, 75, 12, 1-11, https://doi.org/10.2298/JSC100323127R . [all data]

Scherer, Wagner, et al., 2010
Scherer, R.; Wagner, R.; Meireles, M.A.A.; Godoy, H.T.; Duarte, M.C.T.; Filho, J.T., Biological activity and chemical composition of hydrodistilled and supercritical extracts of Xanthium strumarium L. leaves, J. Essen. Oil. Res., 2010, 22, 5, 424-429, https://doi.org/10.1080/10412905.2010.9700363 . [all data]

Silva, Pott, et al., 2010
Silva, D.B.; Pott, A.; Oliveira, D.C.R., Analyses of the headspace volatile constituents of aerial parts (leaves and stems), flowers and fruits of Bidens gardneri Bak. and Bidens sulphurea (Cav.) Sch. Bip. using solid-phase microextraction, J. Essen. Oil Res., 2010, 22, 6, 560-563, https://doi.org/10.1080/10412905.2010.9700400 . [all data]

Takeoka, Hobbs, et al., 2010
Takeoka, G.R.; Hobbs, C.; Byeoung-Soo, P., Volatile constituents of the aerial parts of Salvia apiana Jepson, J. Essential Oil. Res., 2010, 22, 3, 241-244, https://doi.org/10.1080/10412905.2010.9700314 . [all data]

Yang, Zhang, et al., 2010
Yang, X.; Zhang, H.; Zhang, Y.; Zhao, H.; Dong, A.; Xu, L.; Yang, L.; Ma, Y.; Wang, J., Analysis if the essential oils of pine cones of Pinus koraiensis Steb. et Zucc. and P. sylvestris L. from China, J. Essen. Oil Res., 2010, 22, 5, 446-448, https://doi.org/10.1080/10412905.2010.9700368 . [all data]

Dayisoylu and Alma, 2009
Dayisoylu, K.S.; Alma, M.H., Chemical analysis of essential oils from cone's rosin of Cilician fir (Abies cilicica subsp. cilicica), Afr. J. Biotechnol., 2009, 8, 15, 3502-3505. [all data]

Ho, Wang, et al., 2009
Ho, C.-L.; Wang, E.I.-C.; Su, Y.-C., Essential oil compositions and bioactivities of the various parts of Cinnamomum camphora Sieb. var. linallolifera Fujuta, Journal title only in Chinese, 2009, 31, 2, 77-96. [all data]

Su, Wang, et al., 2009
Su, Y.; Wang, C.; Yinlong, G., Analysis of volatile compounds from Mentha hapioealyx Briq. by GC-MS based on accurate mass measurements and retention indices, Acta Chem. Sinica, 2009, 67, 6, 546-554. [all data]

Tellez, Estell, et al., 1997
Tellez, M.R.; Estell, R.E.; Frederickson, E.L.; Havstad, K.M., Essntial oil of Flourensia cernua DC, J. Essent. Oil Res., 1997, 9, 6, 619-624, https://doi.org/10.1080/10412905.1997.9700799 . [all data]

Chaverri, Diaz, et al., 2011
Chaverri, C.; Diaz, C.; Cicco, J.F., Chemical analysis of essential oils from Ocotea gomezii W.C. Burger and Ocotea morae Gomez-Laur. (Lauraceae) collected at Reserva biologica Alberto M. Brenes in Costa Rica and their cytotoxic activity on Tumor cell lines, J. Braz. Chem. Soc., 2011, 22, 4, s1-s4, https://doi.org/10.1590/S0103-50532011000400018 . [all data]

Fortes, Naves, et al., 2011
Fortes, G.A.C.; Naves, S.S.; Godoi, F.F.F.; Duarte, A.R.; Ferri, P.H.; Santos, S.C., Assessment of a maturity index in Jabuticaba fruit by the evaluation of phenolic compounds, essential oil components, sugar content and total acidity, Amer. J. Food Technol., 2011, 6, 11, 974-984, https://doi.org/10.3923/ajft.2011.974.984 . [all data]

Nance and Setzer, 2011
Nance, M.R.; Setzer, W.N., Volatile components of aroma hops (Humulus lupulus L.) commonly used in beer brewing, J. of Brewing and Distilling, 2011, 2, 2, 16-22. [all data]

Payo, Colo, et al., 2011
Payo, D.A.; Colo, J.; Calumpong, H.; de Clerck, O., Variability of non-polar secondary metabolites in the Red Alga Portieria, Mar Drugs, 2011, 9, 11, 2438-2468, https://doi.org/10.3390/md9112438 . [all data]

Pontes, Silva, et al., 2010
Pontes, W.J.T.; Silva, J.M.O.; ds Camara, C.A.G.; Gondim-Junior, M.G.C.; Oliveira, J.V., Chemical composition and acaricidal activity of the essential oils from fruits and leaves of Protium bahianum Daly, J. Essential Oil Res., 2010, 22, 3, 279-282, https://doi.org/10.1080/10412905.2010.9700324 . [all data]

Custer, 2009
Custer, Y., GC Volatile Components Analysis of Different Parts of Litchi chinensis (Dissertation), 2009. [all data]

Zachariah, Leela, et al., 2008
Zachariah, T.J.; Leela, N.K.; Maya, K.M.; Rema, J.; Mathew, P.A.; Vipin, T.M.; Krishnamoorthy, B., Chemical composition of leaf oils of Myristica beddomeii (King), Myristica fragrans (Houtt.) and Myristica malabarica (Lamk.), J. Spices Arom. Crops, 2008, 17, 1, 10-15. [all data]

Nivinsliene, Butkiene, et al., 2007
Nivinsliene, O.; Butkiene, R.; Gudalevic, A.; Mockute, D.; Meskauskiene, V.; Grigaliunaite, B., Influence of urban environment on chemical composition of Tilia cordata essential oil, Chemija, 2007, 18, 1, 44-49. [all data]

Zeng, Xie, et al., 2011
Zeng, Z.; Xie, R.; Zhang, T.; Zhang, H.; Chen, J.Y., Analysis of volatile compositions of Magnolia biondii Pamp by steam distillation and Headspace solid phase micro-extraction, J. Oleo Sci., 2011, 60, 12, 591-596, https://doi.org/10.5650/jos.60.591 . [all data]

Notes

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• Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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