α-Cadinol

• Formula: C₁₅H₂₆O
• Molecular weight: 222.3663
• IUPAC Standard InChI: InChI=1S/C15H26O/c1-10(2)12-7-8-15(4,16)14-6-5-11(3)9-13(12)14/h9-10,12-14,16H,5-8H2,1-4H3/t12-,13?,14?,15+/m0/s1 Copy

  
• IUPAC Standard InChIKey: LHYHMMRYTDARSZ-VXGQWTEUSA-N Copy
• CAS Registry Number: 481-34-5
• 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:
  • 1-Naphthalenol, 1,2,3,4,4a,7,8,8a-octahydro-1,6-dimethyl-4-(1-methylethyl)-, [1R-(1α,4β,4aβ,8aβ)]-
  • τ-Muurolol
  • 1-Naphthalenol, 1,2,3,4,4a,7,8,8a-octahydro-1,6-dimethyl-4-(1-methylethyl)-, [1R-(1α,4β,4aβ,8aβ)]-
  • τ-Cadinol
  • Amorph-4-en-10-ol
  • trans-Cadinol
  • trans-Muurolol
  • 10-epi- α-cadinol
  • 10-epi-α-Muurolol
  • (Z)-α-Cadinol
  • Cadin-4-en-10-β-ol
  • amorph-4-en-10α-ol
  • α-Cadinol, isomer 1
  • α-Cadinol, isomer 2
  • amorph-4-en-10β-ol
  • Cadinol
  • di-exo-T-Cadinol
  • epi-α-Muurolol
  • α-Muurolol
  • epi-α-Cadinol
  • 1-epi-Cadinol
  • β-Cadin-4-en-10-ol
  • α-epi-Cadinol
  • trans-Muurolol
  • Pilgerol
  • 1-Muurolol (?)
• Other names: (1R,4S,4aR,8aR)-4-Isopropyl-1,6-dimethyl-1,2,3,4,4a,7,8,8a-octahydronaphthalen-1-ol; 1-Naphthalenol, 1,2,3,4,4a,7,8,8a-octahydro-1,6-dimethyl-4-(1-methylethyl)-, (1R,4S,4aR,8aR)-; 1-Naphthalenol, 1,2,3,4,4a,7,8,8a-octahydro-1,6-dimethyl-4-(1-methylethyl)-, [1R-(1α,4β,4aβ,8aα)]-; Cadin-4-en-10-ol; (-)-α-Cadinol; l-α-Cadinol; (E)-α-Cadinol
• Permanent link for this species. Use this link for bookmarking this species for future reference.
• Information on this page:
  • Van Den Dool and Kratz RI, non-polar column, custom temperature program
  • References
  • Notes
• Other data available:
  • Mass spectrum (electron ionization)
  • Gas Chromatography
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Van Den Dool and Kratz RI, non-polar column, custom temperature program

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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

References

Go To: Top, Van Den Dool and Kratz 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.

Andrade, Sampaio, et al., 2007
Andrade, M.S.; Sampaio, T.S.; Nogueira, P.C.L.; Ribeiro, A.S.; Bittrich, V.; Amaral, M.C.E., Volatile compounds of the leaves, flowers and fruits of Kielmeyera rugosa Choisy (Clusiaceae), Flavour Fragr. J., 2007, 22, 1, 49-52, https://doi.org/10.1002/ffj.1751 . [all data]

Sant'Anna, Fontes, et al., 2007
Sant'Anna, B.M.P.; Fontes, S.P.; Pinto, A.C.; Rezende, C.M., Characterization of woody odorant contributors in copaiba oil (Copaifera multijuga Hayne), J. Braz. Chem. Soc., 2007, 18, 5, 984-989, https://doi.org/10.1590/S0103-50532007000500016 . [all data]

Silva, Oliveira, et al., 2007
Silva, F.G.; Oliveira, C.B.A.; Pinto, J.E.B.P.; Nascimento, V.E.; Santos, S.C.; Seraphin, J.C.; Ferri, P.H., Seasonal Variability in the Essential Oils of Wild and Cultivated Baccharis trimera, J. Braz. Chem. Soc., 2007, 18, 5, 990-997, https://doi.org/10.1590/S0103-50532007000500017 . [all data]

Özel, Gögüs, et al., 2006
Özel, M.Z.; Gögüs, F.; Lewis, A.C., Determination of Teucrium chamaedrys volatiles by using direct thermal desorption-comprehensive two-dimensional gas chromatography-time-of-flight mass spectrometry, J. Chromatogr. A, 2006, 1114, 1, 164-169, https://doi.org/10.1016/j.chroma.2006.02.036 . [all data]

Bruni, Pellati, et al., 2005
Bruni, R.; Pellati, F.; Grazia Bellardi, M.; Benvenuti, S.; Paltrinieri, S.; Bertaccini, A.; Bianchi, A., Herbal drug quality and phytochemical composition of Hypericum perforatum L. affected by ash yellows phytoplasma infection, J. Agric. Food Chem., 2005, 53, 4, 964-968, https://doi.org/10.1021/jf0487654 . [all data]

Oliveira, Campos, et al., 2005
Oliveira, M.J.; Campos, I.F.P.; Oliveira, C.B.A.; Santos, M.R.; Souza, P.S.; Santos, S.C.; Seraphin, J.C.; Ferri, P.H., Influence of growth phase on the essential oil composition of Hyptis suaveolens, Biochem. Syst. Ecol., 2005, 33, 3, 275-285, https://doi.org/10.1016/j.bse.2004.10.001 . [all data]

Zheng, Kim, et al., 2005
Zheng, C.H.; Kim, K.H.; Kim, T.H.; Lee, H.J., Analysis and characterization of aroma-active compounds of Schizandra chinensis (omija) leaves, J. Sci. Food Agric., 2005, 85, 1, 161-166, https://doi.org/10.1002/jsfa.1975 . [all data]

Kim, Lee, et al., 2003
Kim, T.H.; Lee, S.M.; Kim, Y.-S.; Kim, K.H.; Oh, S.; Lee, H.J., Aroma dilution method using GC injector split ratio for volatile compounds extracted by headspace solid phase microextraction, Food Chem., 2003, 83, 1, 151-158, https://doi.org/10.1016/S0308-8146(03)00221-8 . [all data]

Passos X.S., Castro A.C.M., et al., 2003
Passos X.S.; Castro A.C.M.; Pires J.S.; Garcia A.C.F.; Campos F.C.; Fernandes O.F.L.; Paula J.R.; Ferreira H.D.; Santos S.C.; Ferri P.H.; Silva M.D.R., Composition and antifungal activity of the essential oils of Caryocar brasiliensis, Pharm. Biol., 2003, 41, 5, 319-324, https://doi.org/10.1076/phbi.41.5.319.15936 . [all data]

Azevedo, Campos, et al., 2002
Azevedo, N.R.; Campos, I.F.P.; Ferreira, H.D.; Portes, T.A.; Seraphin, J.C.; de Paula, J.R.; Santos, S.C.; Ferri, P.H., Essential oil chemotypes in Hyptis suaveolens from Brazilian Cerrado, Biochem. Syst. Ecol., 2002, 30, 3, 205-216, https://doi.org/10.1016/S0305-1978(01)00075-8 . [all data]

Lorenzo, Saavedra, et al., 2001
Lorenzo, D.; Saavedra, G.; Loayza, I.; Dellacassa, E., Composition of the essential oil of Erechtites hieracifolia from Bolivia, Flavour Fragr. J., 2001, 16, 5, 353-355, https://doi.org/10.1002/ffj.1010 . [all data]

Filippini, Tomi, et al., 2000
Filippini, M.-H.; Tomi, F.; Casanova, J., Composition of the leaf oil of Ferula arrigonii Bocchieri, Flavour Fragr. J., 2000, 15, 3, 195-198, https://doi.org/10.1002/1099-1026(200005/06)15:3<195::AID-FFJ891>3.0.CO;2-6 . [all data]

Notes

Go To: Top, Van Den Dool and Kratz RI, non-polar column, custom temperature program, References

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