cis-Thujopsene

• Formula: C₁₅H₂₄
• Molecular weight: 204.3511
• IUPAC Standard InChI: InChI=1S/C15H24/c1-11-6-9-14(4)8-5-7-13(2,3)15(14)10-12(11)15/h6,12H,5,7-10H2,1-4H3/t12?,14-,15?/m0/s1 Copy

  
• IUPAC Standard InChIKey: WXQGPFZDVCRBME-BLZCZZARSA-N Copy
• CAS Registry Number: 470-40-6
• Chemical structure:
  This structure is also available as a 2d Mol file or as a computed 3d SD file
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• Stereoisomers:
  • (E)-Thujopsene
• Other names: Thujopsene; Cyclopropa[d]naphthalene, 1,1a,4,4a,5,6,7,8-octahydro-2,4a,8,8-tetramethyl-, [1aS-(1aα,4aβ,8aR*)]-; Cyclopropa[d]naphthalene, 1,1a,4,4a,5,6,7,8-octahydro-2,4a,8,8-tetramethyl-, (1aS,4aS,8aS)-(-)-; Sesquichamene; Thujopsen; Widdrene; cis-(-)-Thujopsene; (Z)-Thujopsene; (1aS,4aS,8aS)-2,4a,8,8-Tetramethyl-1,1a,4,4a,5,6,7,8-octahydrocyclopropa[d]naphthalene; 2,4a,8,8-Tetramethyl-1,1a,4,4a,5,6,7,8-octahydrocyclopropa[d]naphthalene; [1aS-(1aα,4aβ,8aR*)]-1,1a,4,4a,5,6,7,8-octahydro-2,4a,8,8-tetramethylcyclopropa[d]naphthalene
• Permanent link for this species. Use this link for bookmarking this species for future reference.
• Information on this page:
  • Normal alkane RI, non-polar column, custom temperature program
  • References
  • Notes
• Other data available:
  • Mass spectrum (electron ionization)
  • Gas Chromatography
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Normal alkane 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, Normal alkane 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.

de Morais, Oliveira, et al., 2012
de Morais, S.R.; Oliveira, T.L.S.; BAra, M.T.F.; da Conceicao, E.C.; Rezende, M.H.; Ferri, P.H.; de Paula, J.R., Chemical constituents of essential oil from Lippia sidoides Cham. (Verbenaceae) leaves cultivated in Hidrolandia, Goias, Brasil, Int. J. Anal. Chem., 2012, 2012, 1-4, https://doi.org/10.1155/2012/363919 . [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]

Courtois, Paine, et al., 2009
Courtois, E.A.; Paine, C.E.; Blandinieres, P.-A.; Stien, D.; Bessiere, J.-M.; Houel, E.; Baraloto, C.; Chave, J., Diversity of the volatile organic compounds emitted by 55 species of tropical trees: a survey in French Guiana, J. Chem. Ecol., 2009, 35, 11, 1349-1362, https://doi.org/10.1007/s10886-009-9718-1 . [all data]

Tognolini, Barocelli, et al., 2006
Tognolini, M.; Barocelli, E.; Ballabeni, V.; Bruni, R.; Bianchi, A.; Chiavarini, M.; Impicciatore, M., Comparative screening of plant essential oils: Phenylpropanoid moiety as basic core for antiplatelet activity, Life Sciences, 2006, 78, 13, 1419-1432, https://doi.org/10.1016/j.lfs.2005.07.020 . [all data]

Demyttenaere, Moriña, et al., 2004
Demyttenaere, J.C.R.; Moriña, R.M.; De Kimpe, N.; Sandra, P., Use of headspace solid-phase microextraction and headspace sorptive extraction for the detection of the volatile metabolites produced by toxigenic Fusarium species, J. Chromatogr. A, 2004, 1027, 1-2, 147-154, https://doi.org/10.1016/j.chroma.2003.08.105 . [all data]

Hafez and Abdel-Salam, 2004
Hafez, S.S.; Abdel-Salam, H.A., chemical composition and antimicrobial activity of the volatile constituents of thuja occidentalis L. growing in Egipt, Alexandria J. Pharm. Sci., 2004, 18, 1, 41-47. [all data]

Vinogradov, 2004
Vinogradov, B.A., Production, composition, properties and application of essential oils, 2004, retrieved from http://viness.narod.ru. [all data]

Zenkevich, 1996
Zenkevich, I.G., Analytical Parameters of Components of Essential Oils for their Chromatographic and Chromato-Mass Spectral Identification. Mono- and Sesquiterpenes, Rastitelnye Resursy (Plant resources), 1996, 34, 1-2, 48-58. [all data]

Shibamoto, 1987
Shibamoto, T., Retention Indices in Essential Oil Analysis in Capillary Gas Chromatography in Essential Oil Analysis, Sandra, P.; Bicchi, C., ed(s)., Hutchig Verlag, Heidelberg, New York, 1987, 259-274. [all data]

Notes

Go To: Top, Normal alkane RI, non-polar column, custom temperature program, References

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