(1R,9R,E)-4,11,11-Trimethyl-8-methylenebicyclo[7.2.0]undec-4-ene

• Formula: C₁₅H₂₄
• Molecular weight: 204.3511
• IUPAC Standard InChI: InChI=1S/C15H24/c1-11-6-5-7-12(2)13-10-15(3,4)14(13)9-8-11/h6,13-14H,2,5,7-10H2,1,3-4H3/b11-6+/t13-,14+/m1/s1 Copy

  
• IUPAC Standard InChIKey: NPNUFJAVOOONJE-BLOBHPOZSA-N Copy
• CAS Registry Number: 68832-35-9
• Chemical structure:
  This structure is also available as a 2d Mol file
• Species with the same structure:
  • 2-epi-(E)-β-Caryophyllene
• Stereoisomers:
  • Bicyclo[7.2.0]undec-4-ene, 4,11,11-trimethyl-8-methylene-,[1R-(1R*,4Z,9S*)]-
  • Bicyclo[7.2.0]undec-4-ene, 4,11,11-trimethyl-8-methylene-
  • Caryophyllene
  • 9-epi-Caryophyllene
  • cis-Caryophyllene
  • (+)(E)-Caryophyllene
  • 2-epi-(E)- β-Caryophyllene
  • Bicyclo[7.2.0]undec-4-ene, 4,11,11-trimethyl-8-methylene-deriv.
  • (E)-Caryophyllene
  • trans-β-Caryophyllene
  • 9-epi-β-Caryophyllene
  • cis-Caryophyllene
  • β-cis-Caryophyllene
  • (E)-β-Caryophyllene
  • Isocaryophyllene
• Other names: Bicyclo[7.2.0]undec-4-ene, 4,11,11-trimethyl-8-methylene-, (1R,4E,9R)-; Bicyclo[7.2.0]undec-4-ene, 4,11,11-trimethyl-8-methylene-, [1R-(1R*,4E,9R*)]-; (+)-9-epi-β-Caryophyllene; 9-epi-(E)-Caryophyllene; 9-epi-trans-Caryophyllene; 9-epi-β-Caryophyllene; epi-β-Caryophyllene; 9-epi-(E)-Caryophillene
• Information on this page:
  • Van Den Dool and Kratz RI, non-polar column, custom temperature program
  • References
  • Notes
• Other data available:
  • Gas Chromatography
• Options:
  • Switch to SI units

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

Go To: Top, References, Notes

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, Van Den Dool and Kratz 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.

Cardeal, da Silva, et al., 2006
Cardeal, Z.L.; da Silva, M.D.R.G.; Marriott, P.J., Comprehensive two-dimensional gas chromatography/mass spectrometric analysis of pepper volatiles, Rapid Commun. Mass Spectrom., 2006, 20, 19, 2823-2836, https://doi.org/10.1002/rcm.2665 . [all data]

Lorenzo, Paz, et al., 2005
Lorenzo, D.; Paz, D.; Davies, P.; Villamil, J.; Vila, R.; Canigueral, S.; Dellacassa, E., Application of Multidimensional Gas Chromatography to the Enantioselective Characterisation of the Essential Oil of Eupatorium buniifolium Hooker et Arnott, Phytochem. Anal., 2005, 16, 1, 39-44, https://doi.org/10.1002/pca.808 . [all data]

Notes

Go To: Top, Van Den Dool and Kratz RI, non-polar column, custom temperature program, References

• Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
• The National Institute of Standards and Technology (NIST) uses its best efforts to deliver a high quality copy of the Database and to verify that the data contained therein have been selected on the basis of sound scientific judgment. However, NIST makes no warranties to that effect, and NIST shall not be liable for any damage that may result from errors or omissions in the Database.
• Customer support for NIST Standard Reference Data products.