Spiro[4.5]dec-7-ene, 1,8-dimethyl-4-(1-methylethenyl)-, [1S-(1α,4β,5α)]-

• Formula: C₁₅H₂₄
• Molecular weight: 204.3511
• IUPAC Standard InChI: InChI=1S/C15H24/c1-11(2)14-6-5-13(4)15(14)9-7-12(3)8-10-15/h7,13-14H,1,5-6,8-10H2,2-4H3 Copy

  
• IUPAC Standard InChIKey: DVBSKQAFCDJNSL-UHFFFAOYSA-N Copy
• CAS Registry Number: 24048-44-0
• 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.
• Species with the same structure:
  • (1R,4S,5S)-1,8-Dimethyl-4-(prop-1-en-2-yl)spiro[4.5]dec-7-ene
  • (1R,4R,5S)-1,8-Dimethyl-4-(prop-1-en-2-yl)spiro[4.5]dec-7-ene
• Stereoisomers:
  • β-Acoradiene
  • (-)-β-acoradiene
  • α-Acoradiene
  • β-Acoradiene
• Other names: Spiro[4.5]dec-7-ene, 1-isopropenyl-4,8-dimethyl-, (1S,4R,5S)-(-)-; Acoradien; Acoradiene
• Information on this page:
  • Mass spectrum (electron ionization)
  • Gas Chromatography
  • References
  • Notes
• Options:
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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

Van Den Dool and Kratz RI, non-polar column, temperature ramp

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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

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

de Feo, Bruno, et al., 2003
de Feo, V.; Bruno, M.; Tahiri, B.; Napolitano, F.; Senatore, F., Chemical composition and antibacterial activity of essential oils from Thymus spinulosus Ten. (Lamiaceae), J. Agric. Food Chem., 2003, 51, 13, 3849-3853, https://doi.org/10.1021/jf021232f . [all data]

Oprean, Tamas, et al., 1998
Oprean, R.; Tamas, M.; Sandulescu, R.; Roman, L., Essential oils analysis. I. Evaluation of essential oils composition using both GC and MS fingerprints, J. Pharm. Biomed. Anal., 1998, 18, 4-5, 651-657, https://doi.org/10.1016/S0731-7085(98)00283-0 . [all data]

Marchesini, Prada, et al., 2009
Marchesini, A.M.; Prada, G.G.; Messiano, G.B.; Machado, M.B.; Lopes, L.M.X., Chemical constituents of Aristolochia giberti, J. Braz. Chem. Soc., 2009, 20, 9, 1598-1608, https://doi.org/10.1590/S0103-50532009000900006 . [all data]

Chagonda and Chalchat, 2005
Chagonda, L.S.; Chalchat, J.-C., The essential oil of wild and cultivated Hoslundia opposita Vahl. from Zimbabwe, Flavour Fragr. J., 2005, 20, 2, 193-195, https://doi.org/10.1002/ffj.1402 . [all data]

Abreu, Reis, et al., 2004
Abreu, I.N.; Reis, M.G.; Marsaioli, A.J.; Mazzafera, P., Essential oil composition of Hypericum brasiliense choise, Flavour Fragr. J., 2004, 19, 1, 80-82, https://doi.org/10.1002/ffj.1319 . [all data]

Li and Jiang, 2004
Li, R.; Jiang, Z.-T., Chemical composition of the essential oil of Cuminum cyminum L. from China, Flavour Fragr. J., 2004, 19, 4, 311-313, https://doi.org/10.1002/ffj.1302 . [all data]

Shivashankar, Roy, et al., 2012
Shivashankar, S.; Roy, T.K.; Moorthy, P.N.R., Headspace solid phase micro extraction and GC/MS analysis of the volatile components in seed and cake of Azadirachta indica A. juss, Chem. Bull. of Politechnika Univ. Timisoara, Romania, 2012, 57(71), 1, 1-6. [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]

Judpentienë and Mockutë, 2004
Judpentienë, A.; Mockutë, D., Chemical composition of essential oils of Artemisia absinthium L. (wormwood) growing wild in Vilnius, Chemija, 2004, 15, 4, 64-68. [all data]

Jelen H.H., Mirocha C.J., et al., 1995
Jelen H.H.; Mirocha C.J.; Wasowicz E.; Kaminski E., Production of volatile sesquiterpenes by Fusarium sambucinum strans with different abilities to synthesize trichlothecenes, Appl. Environ. Microbiol., 1995, 61, 11, 3815-3820. [all data]

Guo, Wu, et al., 2008
Guo, L.; Wu, J.-Z.; Han, T.; Cao, T.; Rahman, K.; Qin, L.-P., Chemical composition, antifungal and antitumor properties of ether extracts of Scapania verrucosa Heeg. and its endophytic fungus Chaetomium fusiforme, Molecules, 2008, 13, 9, 2114-2125, https://doi.org/10.3390/molecules13092114 . [all data]

Miyazawa, Kurose, et al., 2001
Miyazawa, M.; Kurose, K.; Itoh, A.; Hiraoka, N., Comparison of the essential oils of Glehnia littoralis from Northern and Southern Japan, J. Agric. Food Chem., 2001, 49, 11, 5433-5436, https://doi.org/10.1021/jf010219c . [all data]

Notes

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