β-Bisabolene

• Formula: C₁₅H₂₄
• Molecular weight: 204.3511
• IUPAC Standard InChI: InChI=1S/C15H24/c1-12(2)6-5-7-14(4)15-10-8-13(3)9-11-15/h6,8,15H,4-5,7,9-11H2,1-3H3/t15-/m0/s1 Copy

  
• IUPAC Standard InChIKey: XZRVRYFILCSYSP-HNNXBMFYSA-N Copy
• CAS Registry Number: 495-61-4
• 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)- β-Bisabolene
  • Bisabolene
• Other names: Cyclohexene, 1-methyl-4-(5-methyl-1-methylene-4-hexenyl)-, (S)-; 1,5-Heptadiene, 6-methyl-2-(4-methyl-3-cyclohexen-1-yl)-, (S)-(-)-; l-β-Bisabolene; (+,-)-β-Bisabolene; 1-Methyl-4-(5-methyl-1-methylene-4-hexenyl)-1-cyclohexene-, (4S)-; beta-Bisabolene; (-)-β-bisabolene; 1-Methyl-4-(5-methyl-1-methylene-4-hexenyl)-(S)-cyclohexene; (S)-1-Methyl-4-(6-methylhepta-1,5-dien-2-yl)cyclohex-1-ene; Cyclohexene, 1-methyl-4-(5-methyl-1-methylene-4-hexen-1-yl)-, (4S)-
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• Information on this page:
  • Kovats' RI, non-polar column, isothermal
  • References
  • Notes
• Other data available:
  • IR Spectrum
  • Mass spectrum (electron ionization)
  • Gas Chromatography
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Kovats' RI, non-polar column, isothermal

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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, Kovats' RI, non-polar column, isothermal, Notes

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

Szafranek, Chrapkowska, et al., 2005
Szafranek, B.; Chrapkowska, K.; Pawinska, M.; Szafranek, J., Analysis of leaf surface sesquiterpenes in potato varieties, J. Agric. Food Chem., 2005, 53, 8, 2817-2822, https://doi.org/10.1021/jf040437g . [all data]

Viswanathan, Maridass, et al., 2002
Viswanathan, M.B.; Maridass, M.; Thangadurai, D.; Ramesh, N., Chemical constituents of the fruit essential oil of Diospyros malabarica (Desr.) Kostel (Ebenaceae), Acta Pharmaceutica, 2002, 52, 207-211. [all data]

Andersen, Bissonette, et al., 1977
Andersen, N.H.; Bissonette, P.; Liu, C.-B.; Shunk, B.; Ohta, Y.; Tseng, C.-L.W.; Moore, A.; Huneck, S., Sesquiterpenes of nine European liverworts from the genera, Anastrepta, Bazzania, Jungermannia, Lepidozia, and Scapania, Phytochemistry, 1977, 16, 11, 1731-1751, https://doi.org/10.1016/0031-9422(71)85081-1 . [all data]

Ohta, Andersen, et al., 1977
Ohta, Y.; Andersen, N.H.; Liu, C.-B., Sesquiterpene constituents of two liverworts of genus diplophyllum. Novel eudesmanolides and cytotoxicity studies for enantiomeric methylene lactones, Tetrahedron, 1977, 33, 6, 617-628, https://doi.org/10.1016/0040-4020(77)80301-3 . [all data]

Andersen and Falcone, 1969
Andersen, N.H.; Falcone, M.S., The identification of sesquiterpene hydrocarbons from gas-liquid chromatography retention data, J. Chromatogr., 1969, 44, 52-59, https://doi.org/10.1016/S0021-9673(01)92497-5 . [all data]

Notes

Go To: Top, Kovats' RI, non-polar column, isothermal, References

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