α-Copaene

• Formula: C₁₅H₂₄
• Molecular weight: 204.3511
• IUPAC Standard InChI: InChI=1S/C15H24/c1-9(2)11-7-8-15(4)12-6-5-10(3)14(15)13(11)12/h5,9,11-14H,6-8H2,1-4H3 Copy

  
• IUPAC Standard InChIKey: VLXDPFLIRFYIME-UHFFFAOYSA-N Copy
• CAS Registry Number: 3856-25-5
• Chemical structure:
  This structure is also available as a 2d Mol file or as a computed 3d SD file
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• Stereoisomers:
  • Ylangene
  • trans-α-Copaene
• Other names: Copaene; Tricyclo[4.4.0.02,7]dec-3-ene, 1,3-dimethyl-8-(1-methylethyl)-, stereoisomer; Tricyclo[4.4.0.02,7]dec-3-ene, 8-isopropyl-1,3-dimethyl-, (1R,2S,6S,7S,8S)-(-)-; (-)-α-Copaene; Copaen; Tricyclo[4.4.0.0(2,7)]dec-3-ene, 1,3-dimethyl-8-(1-methylethyl)-, st; Aglaiene; Tricyclo[4.4.0.0(2,7)]dec-3-ene, 8-isopropyl-1,3-dimethyl-; Tricyclo[4.4.0.0(2,7)]dec-3-ene, 8-isopropyl-1,3-dimethyl-, (1R,2S,6S,7S,8S)-; 8-isopropyl-1,3-dimethyltricyclo[4.4.0.02,7]dec-3-ene
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• Information on this page:
  • Kovats' RI, non-polar column, isothermal
  • References
  • Notes
• Other data available:
  • 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]

Clarke, Perry, et al., 1994
Clarke, D.B.; Perry, N.B.; Weavers, R.T., Foliage Oil Terpenes of Prumnopitys ferruginea (D. Don) Laubenf. Variation in Acorenone Levels, J. Essnt. Oil Res., 1994, 6, 6, 549-554, https://doi.org/10.1080/10412905.1994.9699344 . [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, Syrdal, et al., 1973
Andersen, N.H.; Syrdal, D.D.; Lawrence, B.M.; Terhune, S.J.; Hogg, J.W., Widespread occurrence of two heteroannular dienes of the cadalane skeleton, Phytochemistry, 1973, 12, 4, 827-833, https://doi.org/10.1016/0031-9422(73)80687-9 . [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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