Cyclopenta[c]pyran-1(3H)-one, hexahydro-4,7-dimethyl-, (4α,4aα,7α,7aα)-

• Formula: C₁₀H₁₆O₂
• Molecular weight: 168.2328
• IUPAC Standard InChI: InChI=1S/C10H16O2/c1-6-3-4-8-7(2)5-12-10(11)9(6)8/h6-9H,3-5H2,1-2H3/t6-,7-,8+,9+/m1/s1 Copy

  
• IUPAC Standard InChIKey: LSRNBGXEEKNZHN-HXFLIBJXSA-N Copy
• CAS Registry Number: 17672-96-7
• Chemical structure:
  This structure is also available as a 2d Mol file or as a computed 3d SD file
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• Other names: Cyclopenta[c]pyran-1(3H)-one, hexahydro-4α,7α-dimethyl-; α-Dihydronepetalactone; Isodihydronepetalactone; Isonepetalactone, dihydro-; Nepetalactone, α-dihydro-; Nepetalactone, isodihydro-; 4α,7α-Dimethylhexahydrocyclopenta[c]pyran-1(3H)-one; 3,4α-dihydro-4aα,7α,7aα-Nepetalactone; Dihydronepetalactone
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• Information on this page:
  • Mass spectrum (electron ionization)
  • Gas Chromatography
  • References
  • Notes
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Mass spectrum (electron ionization)

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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

Spectrum

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Additional Data

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

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

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Normal alkane RI, non-polar column, temperature ramp

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Normal alkane RI, non-polar column, custom temperature program

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Normal alkane RI, 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.

Zhao, Wang X.Y., et al., 2006
Zhao, Y.P.; Wang X.Y.; Wang, Z.C.; Lu Y.; Fu, C.X.; Chen, S.Y., Essential oil of Actinidia macrosperma, a catnip response kiwi endemic to China, Journal of Zhejiang University SCIENCE B, 2006, 7, 9, 708-712, https://doi.org/10.1631/jzus.2006.B0708 . [all data]

Javidnia, Miri, et al., 2002
Javidnia, K.; Miri, R.; Safavi, F.; Azarpira, A.; Shafiee, A., Composition of the essential oil of Nepeta persica Boiss from Iran, Flavour Fragr. J., 2002, 17, 1, 20-22, https://doi.org/10.1002/ffj.1023 . [all data]

Skaltsa, Lazari, et al., 2000
Skaltsa, H.D.; Lazari, D.M.; Loukis, A.E.; Constantinidis, T., Essential oil analysis of Nepeta argolica Bory Chaub. subsp. argolica (Lamiaceae) growing wild in Greece, Flavour Fragr. J., 2000, 15, 2, 96-99, https://doi.org/10.1002/(SICI)1099-1026(200003/04)15:2<96::AID-FFJ873>3.0.CO;2-F . [all data]

Malizia, Molli, et al., 1996
Malizia, R.A.; Molli, J.S.; Cardell, D.A.; Retamar, J.A., Volatile constituents of the essential oil of Nepeta cataria L. grown in Cordoba Province (Argentina), J. Essent. Oil Res., 1996, 8, 5, 565-567, https://doi.org/10.1080/10412905.1996.9700691 . [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]

HEuskin, Godin, et al., 2009
HEuskin, S.; Godin, B.; Leroy, P.; Quentin C.; Wathelet, J.-P.; Verheggen, F.; Haubruge, E.; Lognay, G., Fast gas chromatography characterization of purified semiochemicals from essential oils of Matricaria chamomilla L. (Asteraceae) and Nepeta cataria L. (Lamiaceae), J. Chromatorg. A., 2009, 1216, 14, 2768-2775, https://doi.org/10.1016/j.chroma.2008.09.109 . [all data]

Suschke, Sporer, et al., 2007
Suschke, U.; Sporer, F.; Schneele, J.; Geiss, H.K.; Reichling, J., Antibacterial and Cytotoxic activity of Nepeta cataria L., Nepeta cataria var. citriodora (Beck.) Balb. and Melissa officinalis L. essential oils, Natural Product Communications, 2007, 2, 12, 1277-1286. [all data]

Notes

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