trans-Arbusculone

• Formula: C₉H₁₄O₂
• Molecular weight: 154.2063
• IUPAC Standard InChI: InChI=1S/C9H14O2/c1-4-9(3)6-5-8(11-9)7(2)10/h4,8H,1,5-6H2,2-3H3/t8-,9-/m0/s1 Copy

  
• IUPAC Standard InChIKey: FBFSXARBCWGXJL-IUCAKERBSA-N Copy
• CAS Registry Number: 56469-36-4
• 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.
• Stereoisomers:
  • cis-Arbusculone
  • 5-Methyl-5-vinyltetrahydrofur-2-yl methyl ketone (arbusculone)
• Other names: 1-((2R,5R)-5-Methyl-5-vinyltetrahydrofuran-2-yl)ethanone; Ethanone, 1-[(2R,5R)-5-ethenyltetrahydro-5-methyl-2-furanyl]-, rel-; Ethanone, 1-(5-ethenyltetrahydro-5-methyl-2-furanyl)-, trans-; trans-2-Methyl-2-vinyl-5-acetyltetrahydrofuran
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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.

Zouari, Zouari, et al., 2010
Zouari, S.; Zouari, N.; Fakhfakh, N.; Bougatel, A.; Ayadi, M.A.; Neffati, M., Chemical composition and biological activities of a new essential oil chemotype of Tunisian Artemisia herba alba Asso, J. Medicinal Plants Res., 2010, 4, 10, 871-880. [all data]

Mierendorff, Stahl-Biskup, et al., 2008
Mierendorff, H.-G.; Stahl-Biskup, E.; Posthumus, M.A.; van Beek, T.A., Composition of commercial Cape chamomile oil (Eriocephalus punctuatus / Eriocephalus tenuifolius), 2008, retrieved from http://www.chemische-analysen-hamburg.de/Publikationen?Cape_Chamomile_Oil/. [all data]

Ghasemi, Yamini, et al., 2007
Ghasemi, E.; Yamini, Y.; Bahramifar, N.; Sefidkon, F., Comparative analysis of the oil and supercritical CO2 extract of Artemisia sieberi, J. Food Eng., 2007, 79, 1, 306-311, https://doi.org/10.1016/j.jfoodeng.2006.01.059 . [all data]

Mierendorff, Stahl-Biskup, et al., 2003
Mierendorff, H.-G.; Stahl-Biskup, E.; Posthumus, M.A.; van Beek, T.A., Composition of commercial Cape chamomile oil (Eriocephalus punctulatus), Flavour Fragr. J., 2003, 18, 6, 510-514, https://doi.org/10.1002/ffj.1259 . [all data]

Kobaisy, Tellez, et al., 2002
Kobaisy, M.; Tellez, M.R.; Dayan, F.E.; Duke, S.O., Phytotoxicity and volatile constituents from leaves of Callicarpa japonica Thunb., Phytochemistry, 2002, 61, 1, 37-40, https://doi.org/10.1016/S0031-9422(02)00207-8 . [all data]

Tellez, Dayan, et al., 2000
Tellez, M.R.; Dayan, F.E.; Schrader, K.K.; Wedge, D.E.; Duke, S.O., Composition and some biological activities of the essential oils of Callicarpa Americana (L.), J. Agric. Food Chem., 2000, 48, 7, 3008-3012, https://doi.org/10.1021/jf991026g . [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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