.beta.-Oplopenone

• Formula: C₁₅H₂₄O
• Molecular weight: 220.3505
• IUPAC Standard InChI: InChI=1S/C15H24O/c1-9(2)12-6-5-10(3)13-7-8-14(11(4)16)15(12)13/h9,12-15H,3,5-8H2,1-2,4H3 Copy

  
• IUPAC Standard InChIKey: YKWVCZPTAAKDIY-UHFFFAOYSA-N Copy
• CAS Registry Number: 28305-60-4
• 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:
  • β-Oplopenone
• Other names: 1-((1S,3aR,7S,7aS)-7-Isopropyl-4-methyleneoctahydro-1H-inden-1-yl)ethan-1-one; Ethanone, 1-[(1S,3aR,7S,7aS)-octahydro-4-methylene-7-(1-methylethyl)-1H-inden-1-yl]-; Ethanone, 1-[octahydro-4-methylene-7-(1-methylethyl)-1H-inden-1-yl]-, [1S-(1α,3aβ,7α,7aα)]-; Ketone, 3aα,4,5,6,7,7aβ-hexahydro-7β-isopropyl-4-methylene-1β-indanyl methyl (8CI); Oplopenone; β-Oploplenone
• Information on this page:
  • Normal alkane RI, non-polar column, custom temperature program
  • References
  • Notes
• Other data available:
  • Gas Chromatography
• Options:
  • Switch to SI units

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

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, custom temperature program, Notes

Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.

Gazim, Rezende, et al., 2008
Gazim, Z.C.; Rezende, C.M.; Fraga, S.R.; Filho, B.P.D.; Cortez, D.A.G., Analysis of the essential oils from Calendula officinalis growing in Brazil using three different exteraction procedures, Brazilian J. Pharmaceutical Sci., 2008, 44, 3, 391-395. [all data]

Kupcinskiene, Stikliene, et al., 2008
Kupcinskiene, E.; Stikliene, A.; Judzentiene, A., The essential oil guatitative composition in the needles of Pinus sylvestris L. growing along industrial transects, Environ. Pollution, 2008, 155, 3, 481-491, https://doi.org/10.1016/j.envpol.2008.02.001 . [all data]

Pontes, de Olivera, et al., 2007
Pontes, W.J.T.; de Olivera, J.C.G.; da Camara, C.A.G.; Lopes, A.C.H.R.; Gondim Jr.; de Olivera, J.V.; Barros, R.; Schwartz, M.O.E., Chemical composition and acaridical activity of the leaf and fruit essential oils of Protium heptaphyllum (Aubl.) Marchand (Burseraceae), Acta Amazonica, 2007, 37, 1, 103-110, https://doi.org/10.1590/S0044-59672007000100012 . [all data]

Takaku, Haber, et al., 2007
Takaku, S.; Haber, W.A.; Setzer, W.N., Leaf essential oil composition of 10 species of Ocotea (Lauraceae) from Monteverde, Costa Rica, Biochem. Syst. Ecol., 2007, 35, 8, 525-532, https://doi.org/10.1016/j.bse.2007.02.003 . [all data]

Butkienë, Nivinskienë, et al., 2005
Butkienë, R.; Nivinskienë, O.; Mockutë, D., α-Pinene chemotype of leaf (needle) essential oils of Juniperus communis L. growing wild in Vilnius district, Chemija, 2005, 16, 1, 53-60. [all data]

Deng, Yao, et al., 2005
Deng, C.; Yao, N.; Wang, A.; Zhang, X., Determination of essential oil in a traditional Chinese medicine, Fructus amomi by pressurized hot water extraction followed by liquid-phase microextraction and gas chromatography-mass spectrometry, Anal. Chim. Acta., 2005, 536, 1-2, 237-244, https://doi.org/10.1016/j.aca.2004.12.044 . [all data]

Butkienë, Nivinskienë, et al., 2004
Butkienë, R.; Nivinskienë, O.; Mockutë, D., Chemical composition of unripe and ripe berry essential oils of Juniperus communis L. growing wild in Vilnius district, Chemija, 2004, 15, 4, 57-63. [all data]

Mockute, Nivinskiene, et al., 2003
Mockute, D.; Nivinskiene, O.; Bernotiene, G.; Butkiene, R., The cis-thujone chemotype of Salvia officinalis L. essential oils, Chemija, 2003, 14, 4, 216-220. [all data]

Weyerstahl, Marschall, et al., 1999
Weyerstahl, P.; Marschall, H.; Son, P.T.; Giang, P.M., Constituents of the flower essential oil of Aglaia odorata Lour. from Vietnam, Flavour Fragr. J., 1999, 14, 4, 219-224, https://doi.org/10.1002/(SICI)1099-1026(199907/08)14:4<219::AID-FFJ815>3.0.CO;2-# . [all data]

Weyerstahl, Marschall, et al., 1998
Weyerstahl, P.; Marschall, H.; Weirauch, M.; Thefeld, K.; Surburg, H., Constituents of commercial Labdanum oil, Flavour Fragr. J., 1998, 13, 5, 295-318, https://doi.org/10.1002/(SICI)1099-1026(1998090)13:5<295::AID-FFJ751>3.0.CO;2-I . [all data]

Weyerstahl, Marschall, et al., 1998, 2
Weyerstahl, P.; Marschall, H.; Thefeld, K.; Subba, G.C., Constituents of the essential oil from the rhizomes of Hedychium gardnerianum Roscoe, Flavour Fragr. J., 1998, 13, 6, 377-388, https://doi.org/10.1002/(SICI)1099-1026(199811/12)13:6<377::AID-FFJ755>3.0.CO;2-F . [all data]

Notes

Go To: Top, Normal alkane RI, non-polar column, custom temperature program, References

• Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
• The National Institute of Standards and Technology (NIST) uses its best efforts to deliver a high quality copy of the Database and to verify that the data contained therein have been selected on the basis of sound scientific judgment. However, NIST makes no warranties to that effect, and NIST shall not be liable for any damage that may result from errors or omissions in the Database.
• Customer support for NIST Standard Reference Data products.