Nordavanone

Formula: C₁₁H₁₈O₂
Molecular weight: 182.2594
IUPAC Standard InChI: InChI=1S/C11H18O2/c1-5-11(4)7-6-10(13-11)8(2)9(3)12/h5,8,10H,1,6-7H2,2-4H3
IUPAC Standard InChIKey: RNEVZQGFNUZDJC-UHFFFAOYSA-N
CAS Registry Number: 54933-91-4
Chemical structure:
This structure is also available as a 2d Mol file
Stereoisomers:
- Norodovanone
- Nordavanone
Other names: (S)-3-((2S,5R)-5-Methyl-5-vinyltetrahydrofuran-2-yl)butan-2-one; 2-Butanone, 3-[(2S,5R)-5-ethenyltetrahydro-5-methyl-2-furanyl]-, (3S)-; 2-Butanone, 3-(5-ethenyltetrahydro-5-methyl-2-furanyl)-, [2S-[2α(R*),5α]]-; (+)-Nordavanone
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Gas Chromatography

Data compiled by: NIST Mass Spectrometry Data Center, William E. Wallace, director

Kovats' RI, non-polar column, custom temperature program

Column type	Active phase	I	Reference	Comment
Capillary	OV-1	1214.	El-Shazly, Dorai, et al., 2002	15. m/0.317 mm/0.25 μm, He; Program: 50C(4min) => (4C/min) => 90C => (10C/min)=300C(10min)

Van Den Dool and Kratz RI, non-polar column, temperature ramp

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Column type	Active phase	I	Reference	Comment
Capillary	HP-5MS	1231.	Salido, Valenzuela, et al., 2004	30. m/0.25 mm/0.25 μm, He, 3. K/min; T_start: 50. C; T_end: 250. C
Capillary	DB-5	1227.	Isidorov, Zenkevich, et al., 2001	He, 3. K/min; Column length: 30. m; Column diameter: 0.25 mm; T_start: 50. C; T_end: 250. C
Capillary	HP-5MS	1231.	Salido, Altarejos, et al., 2001	30. m/0.25 mm/0.25 μm, He, 3. K/min; T_start: 50. C; T_end: 250. C

Van Den Dool and Kratz RI, non-polar column, custom temperature program

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Column type	Active phase	I	Reference	Comment
Capillary	HP-5MS	1232.3	Andriamaharavo, 2014	30. m/0.25 mm/0.25 μm, He; Program: 60C (1 min) => 5 C/min => 210C => 10 C/min => 280C (15 min)

Normal alkane RI, non-polar column, temperature ramp

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Column type	Active phase	I	Reference	Comment
Capillary	HP-5MS	1235.	Zouari, Zouari, et al., 2010	30. m/0.25 mm/0.25 μm, Helium, 50. C @ 1. min, 7. K/min, 250. C @ 5. min
Capillary	HP-5MS	1227.	Sadeghpour, Asghari, et al., 2004	30. m/0.25 mm/0.25 μm, He, 4. K/min; T_start: 60. C; T_end: 280. C
Capillary	DB-1	1213.	Perez-Alonso, Velasco-Negueruela, et al., 2003	50. m/0.25 mm/0.25 μm, N2, 4. K/min; T_start: 95. C; T_end: 240. C
Capillary	BP-1	1207.	Mallavarapu, Kulkarni, et al., 1999	25. m/0.50 mm/0.25 μm, N2, 5. K/min, 220. C @ 10. min; T_start: 60. C

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

View large format table.

Column type	Active phase	I	Reference	Comment
Capillary	SLB-5 MS	1225.	Costa, De Fina, et al., 2008	30. m/0.25 mm/0.25 μm, Helium; Program: 50 0C 3 0C/min -> 250 0C (1 min) 10 0C/min -> 300 0C (5 min)
Capillary	DB-5	1229.	Isidorov, Zenkevich, et al., 2001	He; Column length: 30. m; Column diameter: 0.25 mm; Program: not specified

References

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El-Shazly, Dorai, et al., 2002
El-Shazly, A.; Dorai, G.; Wink, M., Chemical composition and biological activity of the essential oils of Senecio aegyptus var. discoideus Boiss., Z. Naturforsch., 2002, 57c, 434-439. [all data]

Salido, Valenzuela, et al., 2004
Salido, S.; Valenzuela, L.R.; Altarejos, J.; Nogueras, M.; Sánchez, A.; Cano, E., Composition and infraspecific variability of Artemisia herba-alba from southern Spain, Biochem. Syst. Ecol., 2004, 32, 3, 265-277, https://doi.org/10.1016/j.bse.2003.09.002 . [all data]

Isidorov, Zenkevich, et al., 2001
Isidorov, V.A.; Zenkevich, I.G.; Krajewska, U.; Dubis, E.N.; Jaroszynska, J.; Bal, K., Gas chromatographic analysis of essential oils with preliminary partition of components, Phytochem. Anal., 2001, 12, 2, 87-90, https://doi.org/10.1002/pca.564 . [all data]

Salido, Altarejos, et al., 2001
Salido, S.; Altarejos, J.; Nogueras, M.; Sánchez, A., Chemical composition of the essential oil of Artemisia herba-alba Asso ssp. valentina (Lam.) Marcl., J. Essent. Oil Res., 2001, 13, 4, 221-224, https://doi.org/10.1080/10412905.2001.9699675 . [all data]

Andriamaharavo, 2014
Andriamaharavo, N.R., Retention Data. NIST Mass Spectrometry Data Center., NIST Mass Spectrometry Data Center, 2014. [all data]

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]

Sadeghpour, Asghari, et al., 2004
Sadeghpour, O.; Asghari, G.; Ardekani, M.R.S., Composition of essential oil of Artemisia persica Boiss. from Iran, Iran. J. Pharm. Res., 2004, 3, 65-67. [all data]

Perez-Alonso, Velasco-Negueruela, et al., 2003
Perez-Alonso, M.J.; Velasco-Negueruela, A.; Palá-Paúl, J.; Sanz, J., Variations in the essential oil composition of Artemisia pedemontana gathered in Spain: chemotype camphor-1,8-cineole and chemotype davanone, Biochem. Syst. Ecol., 2003, 31, 1, 77-84, https://doi.org/10.1016/S0305-1978(02)00082-0 . [all data]

Mallavarapu, Kulkarni, et al., 1999
Mallavarapu, G.R.; Kulkarni, R.N.; Baskaran, K.; Rao, L.; Ramesh, S., Influence of plant growth stage on the essential oil content and composition in Davana (Artemisia pallens Wall.), J. Agric. Food Chem., 1999, 47, 1, 254-258, https://doi.org/10.1021/jf980624c . [all data]

Costa, De Fina, et al., 2008
Costa, R.; De Fina, M.R.; Valentino, M.R.; Rustaiyan, A.; Dugo, P.; Dugo, G.; Mondello, L., An investigation on the volatile composition of some Artemisia species from Iran, Flavour Fragr. J., 2008, 24, 2, 75-82, https://doi.org/10.1002/ffj.1919 . [all data]

Notes

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Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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