(4aS,7S,7aR)-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: 21651-62-7
• Chemical structure:
  This structure is also available as a 2d Mol file
• Species with the same structure:
  • (4aR,7S,7aS)-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: Cyclopenta[c]pyran-1(4aH)-one, 5,6,7,7a-tetrahydro-4,7-dimethyl-, (4aS,7S,7aR)-; Cyclopenta[c]pyran-1(4aH)-one, 5,6,7,7a-tetrahydro-4,7-dimethyl-, [4aS-(4aα,7α,7aα)]-; Cyclopenta[c]pyran-1(4aH)-one, 5,6,7,7a-tetrahydro-4,7α-dimethyl-, (+)-; (+)-(4aS,7S,7aR)-Nepetalactone; (+)-cis,trans-Nepetalactone; (4aS,7S,7aR)-Nepetalactone; 4aα,7α,7aα-Nepetalactone; Nepetalactone, cis-trans-; cis-trans-Nepetalactone; 4aα,7β,7aα-Nepetalactone
• Information on this page:
  • Gas Chromatography
  • References
  • Notes
• Options:
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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.

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]

Notes

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