(4aR,7S,7aS)-4,7-Dimethyl-5,6,7,7a-tetrahydrocyclopenta[c]pyran-1(4aH)-one

• 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 Copy

  
• IUPAC Standard InChIKey: ZDKZHVNKFOXMND-UHFFFAOYSA-N Copy
• CAS Registry Number: 21651-53-6
• Chemical structure:
  This structure is also available as a 2d Mol file or as a computed 3d SD file
  The 3d structure may be viewed using Java or Javascript.
• Species with the same structure:
  • (4aS,7S,7aR)-4,7-Dimethyl-5,6,7,7a-tetrahydrocyclopenta[c]pyran-1(4aH)-one
  • Nepetalactone
  • epi-Nepeta lactone
• Stereoisomers:
  • 4aα,7α,7aα-Nepetalactone
  • 4aβ,7α,7aα-Nepetalactone
  • 4aα,7α,7aβ-Nepetalactone
  • 4aβ,7α,7aβ-Nepetalactone
  • 4aα,7β,7aβ-Nepetalactone
• Other names: Reo=Component at scan 1427 (17.595 min) [Model = +81u] in C:\\GCMS_RABE\\AGILENT_7000\\_DATA\\2011-03-25 AA-WCS-GA MZDATA\\CATNIP AA 5%.MZDATA.XML; Cyclopenta[c]pyran-1(4aH)-one, 5,6,7,7a-tetrahydro-4,7-dimethyl-, (4aR,7S,7aS)-; Cyclopenta[c]pyran-1(4aH)-one, 5,6,7,7a-tetrahydro-4,7-dimethyl-, [4aR-(4aα,7β,7aα)]-; Cyclopenta[c]pyran-1(4aβH)-one, 5,6,7,7aβ-tetrahydro-4,7α-dimethyl-, (+)-; (+)-cis,cis-Nepetalactone; (4aR,7S,7aS)-Nepetalactone; 4aβ,7α,7aα-Nepetalactone; Nepetalactone, cis,cis-; cis,cis-Nepetalactone; Nepetalactone (4aα, 7β, 7aα)
• 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

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

View large format table.

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.

Salamci, Kordali, et al., 2007
Salamci, E.; Kordali, S.; Kotan, R.; Cakir, A.; Kaya, Y., Chemical compositions, antimicrobial and herbicidal effects of essential oils isolated from Turkish Tanacetum aucheranum and Tanacetum chiliophyllum var. chiliophyllum, Biochem. Syst. Ecol., 2007, 35, 9, 569-581, https://doi.org/10.1016/j.bse.2007.03.012 . [all data]

Notes

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