α-Bisabolene oxide

Formula: C₁₅H₂₄O
Molecular weight: 220.3505
IUPAC Standard InChI: InChI=1S/C15H24O/c1-11(2)5-10-14-15(4,16-14)13-8-6-12(3)7-9-13/h5-6,13-14H,7-10H2,1-4H3
IUPAC Standard InChIKey: PBNXUEQZNAEDOI-UHFFFAOYSA-N
Chemical structure:
This structure is also available as a 2d Mol file
Species with the same structure:
- Bisabolene oxide A
- α-Bisabolene epoxide
Stereoisomers:
Other names: (E, Z)-α-Bisabolene oxide; Z-α-bisabolene epoxide
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Gas Chromatography

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

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

Column type	Active phase	I	Reference	Comment
Capillary	SPB-1	1670.	Boskovic, Radulovic, et al., 2005	30. m/0.25 mm/0.25 μm, He, 50. C @ 3. min, 5. K/min, 250. C @ 15. min
Capillary	DB-5	1682.	Boskovic, Radulovic, et al., 2005	30. m/0.2 mm/0.25 μm, He, 50. C @ 3. min, 5. K/min, 250. C @ 15. min
Capillary	HP-1	1650.	Senatore, Rigano, et al., 2003	30. m/0.25 mm/0.33 μm, He, 40. C @ 5. min, 2. K/min, 260. C @ 20. min

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

View large format table.

Column type	Active phase	I	Reference	Comment
Capillary	CP Sil 8 CB	1682.	Mockute and Judzentiene, 2003	He; Column length: 50. m; Column diameter: 0.32 mm; Program: 60C (2min) => 5C/min => 160C (1min) => 10C/min => 250C (2min)

Normal alkane RI, non-polar column, temperature ramp

View large format table.

Column type	Active phase	I	Reference	Comment
Capillary	DB-1	1652.	Hadian, Sonboli, et al., 2006	60. m/0.25 mm/0.25 μm, 5. K/min, 250. C @ 10. min; T_start: 60. C
Capillary	DB-5	1672.	Senatore, Landolfi, et al., 2006	30. m/0.25 mm/0.25 μm, He, 40. C @ 5. min, 2. K/min, 260. C @ 20. min
Capillary	DB-5	1672.	Senatore, Apostolides Arnold, et al., 2005	30. m/0.25 mm/0.25 μm, He, 40. C @ 5. min, 2. K/min, 260. C @ 20. min
Capillary	HP-5	1679.	Stashenko, Jaramillo, et al., 2003	60. m/0.25 mm/0.25 μm, 40. C @ 15. min, 5. K/min; T_end: 250. C
Capillary	DB-1	1640.	Palá-Paúl, Pérez-Alonso, et al., 2001	30. m/0.25 mm/0.25 μm, N2, 4. K/min; T_start: 80. C; T_end: 225. C
Capillary	DB-1	1640.	Palá-Paúl, Pérez-Alonso, et al., 1999	50. m/0.25 mm/0.25 μm, He, 4. K/min; T_start: 70. C; T_end: 240. C

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

View large format table.

Column type	Active phase	I	Reference	Comment
Capillary	CP Sil 8 CB	1682.	Judpentienë and Mockutë, 2004	He; Column length: 50. m; Column diameter: 0.32 mm; Program: 60C(2min) => 5C/min => 160C (1min) => 10C/min => 250C (2min)
Capillary	SE-54	1655.	Lima, Veiga, et al., 2003	25. m/0.25 mm/0.25 μm, H2; Program: 110C(2min) => 3C/min => 130C => 8.5C => 290C
Capillary	CP Sil 8 CB	1682.	Mockute and Judzentiene, 2002	He; Column length: 50. m; Column diameter: 0.32 mm; Program: 60C(2min) => 5C/min => 160C(1min) => 10C/min => 250C (2min)
Capillary	CP Sil 8 CB	1682.	Mockute and Judzentiene, 2002, 2	He; Column length: 50. m; Column diameter: 0.32 mm; Program: 60C(2min) => 5C/min => 160C(1min) => 10C/min => 250C(2min)

References

Go To: Top, Gas Chromatography, Notes

Boskovic, Radulovic, et al., 2005
Boskovic, Z.; Radulovic, N.; Stojanovic, G., Essential oil composition of four Achillea species from the balkans and its chemotaxonomic significance, Chem. Nat. Compd. (Engl. Transl.), 2005, 41, 6, 674-678, https://doi.org/10.1007/s10600-006-0009-6 . [all data]

Senatore, Rigano, et al., 2003
Senatore, F.; Rigano, D.; de Fusco, R.; Bruno, M., Volatile components of Centaurea cineraria L. subsp. umbrosa (lacaita) Pign. and Centaurea napifolia L. (Asteraceae), two species growing wild in Sicily, Flavour Fragr. J., 2003, 18, 3, 248-251, https://doi.org/10.1002/ffj.1179 . [all data]

Mockute and Judzentiene, 2003
Mockute, D.; Judzentiene, A., Variability of the essential oils composition of Achillea millefolium ssp. millefolium growing wild in Lithuania, Biochem. Syst. Ecol., 2003, 31, 9, 1033-1045, https://doi.org/10.1016/S0305-1978(03)00066-8 . [all data]

Hadian, Sonboli, et al., 2006
Hadian, J.; Sonboli, A.; Ebrahimi, S.N.; Mirjalili, M.H., Essential oil composition of Nepeta satureioides from Iran, Chem. Nat. Compd. (Engl. Transl.), 2006, 42, 2, 175-177, https://doi.org/10.1007/s10600-006-0071-0 . [all data]

Senatore, Landolfi, et al., 2006
Senatore, F.; Landolfi, S.; Celik, S.; Bruno, M., Volatile components of Centaurea calcitrapa L. and Centaurea sphaerocephala L. ssp. sphaerocephala, two Asteraceae growing wild in Sicily, Flavour Fragr. J., 2006, 21, 2, 282-285, https://doi.org/10.1002/ffj.1585 . [all data]

Senatore, Apostolides Arnold, et al., 2005
Senatore, F.; Apostolides Arnold, N.; Bruno, M., Volatile components of Centaurea eryngioides Lam. and Centaurea liberica Trev. var. hermonis Boiss. Lam., two Asteraceae growing wild in Lebanon, Nat. Prod. Res., 2005, 19, 8, 749-754, https://doi.org/10.1080/14786410412331302136 . [all data]

Stashenko, Jaramillo, et al., 2003
Stashenko, E.E.; Jaramillo, B.E.; Martínez, J.R., Comparación de la composición química y de la actividad antioxidante in vitro de los metabolitos secundarios volátiles de plantas de la familia verbenaceae, Rev. Acad. Colomb. Cienc. Exactas Fis. Nat., 2003, 27, 105, 579-597. [all data]

Palá-Paúl, Pérez-Alonso, et al., 2001
Palá-Paúl, J.; Pérez-Alonso, M.J.; Velasco-Negueruela, A.; Palá-Paúl, R.; Sanz, J.; Conejero, Fco., Seasonal variation in chemical constituents of Santolina rosmarinifolia L. ssp. rosmarinifolia, Biochem. Syst. Ecol., 2001, 29, 7, 663-672, https://doi.org/10.1016/S0305-1978(01)00032-1 . [all data]

Palá-Paúl, Pérez-Alonso, et al., 1999
Palá-Paúl, J.; Pérez-Alonso, M.J.; Velasco-Negueruela, A.; Ramos-Vázquez, P.; Gómez-Contreras, F.; Sanz, J., Essential oil of Santolina rosmarinifolia L. ssp. rosmarinifolia: first isolation of capillene, a diacetylene derivative, Flavour Fragr. J., 1999, 14, 2, 131-134, https://doi.org/10.1002/(SICI)1099-1026(199903/04)14:2<131::AID-FFJ794>3.0.CO;2-7 . [all data]

Judpentienë and Mockutë, 2004
Judpentienë, A.; Mockutë, D., Chemical composition of essential oils produced by pink flower inflorescences of wild Achillea millefolium L., Chemija, 2004, 15, 28-32. [all data]

Lima, Veiga, et al., 2003
Lima, S.R.M.; Veiga, V.F., Jr.; Christo, H.B.; Pinto, A.C.; Fernandes, P.D., In vivo and in vitro studies on the anticancer activity of Copaifera multijuga Hayne and its fractions, Phytother. Res., 2003, 17, 9, 1048-1053, https://doi.org/10.1002/ptr.1295 . [all data]

Mockute and Judzentiene, 2002
Mockute, D.; Judzentiene, A., Chemotypes of the essential oils of Achillea millefolium L. ssp. millefolium growing wild in Eastern Lithuania, Chemija, 2002, 13, 3, 168-173. [all data]

Mockute and Judzentiene, 2002, 2
Mockute, D.; Judzentiene, A., Chemical composition of the essential oils of Achillea millefolium L. ssp. millefolium (yarrow) growing wild in Vilnius, Chemija, 2002, 13, 2, 97-102. [all data]

Notes

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Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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