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:
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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
• Permanent link for this species. Use this link for bookmarking this species for future reference.
• Information on this page:
  • Gas Chromatography
  • References
  • Notes
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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

Kovats' RI, non-polar column, temperature ramp

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Normal alkane RI, non-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.

Gkinis, Tzakou, et al., 2003
Gkinis, G.; Tzakou, O.; Iliopoulou, D.; Roussis, V., Chemical Composition and Biological Activity of Nepeta parnassica Oils and Isolated Nepetalactones, Z. Naturforsch. C:, 2003, 58, 681-686. [all data]

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

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