4aα,7β,7aβ-Nepetalactone

• Formula: C₁₀H₁₄O₂
• Molecular weight: 166.2170
• IUPAC Standard InChI: InChI=1S/C10H14O2/c1-6-3-4-8-7(2)5-12-10(11)9(6)8/h5-6,8-9H,3-4H2,1-2H3/t6-,8-,9+/m0/s1 Copy

  
• IUPAC Standard InChIKey: ZDKZHVNKFOXMND-CNUIFLNQSA-N Copy
• Chemical structure:
  This structure is also available as a 2d Mol file or as a computed 3d SD file
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• Stereoisomers:
  • (4aR,7S,7aS)-4,7-Dimethyl-5,6,7,7a-tetrahydrocyclopenta[c]pyran-1(4aH)-one
  • (4aS,7S,7aR)-4,7-Dimethyl-5,6,7,7a-tetrahydrocyclopenta[c]pyran-1(4aH)-one
  • Nepetalactone
  • 4aα,7α,7aα-Nepetalactone
  • 4aβ,7α,7aα-Nepetalactone
  • 4aα,7α,7aβ-Nepetalactone
  • 4aβ,7α,7aβ-Nepetalactone
  • epi-Nepeta lactone
• Other names: Nepetalactone, 4aa,7b, 7ab
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• Information on this page:
  • Normal alkane RI, non-polar column, temperature ramp
  • References
  • Notes
• Other data available:
  • Gas Chromatography
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Normal alkane RI, non-polar column, temperature ramp

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, Normal alkane RI, non-polar column, temperature ramp, Notes

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

de Pooter, Nicolai, et al., 1988
de Pooter, H.L.; Nicolai, B.; De Laet, J.; De Buyck, L.F.; Schamp, N.M.; Goetghebeur, P., The Essential Oils of Five Nepeta Species. A Preliminary Evaluation of their Use in Chemotaxonomy by Cluster Analysis, Flavour Fragr. J., 1988, 3, 4, 155-159, https://doi.org/10.1002/ffj.2730030404 . [all data]

Notes

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

• Symbols used in this document:
  

  Tend	Final temperature
  Tstart	Initial temperature

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