α-Barbatene

Formula: C₁₅H₂₄
Molecular weight: 204.3511
IUPAC Standard InChI: InChI=1S/C15H24/c1-11-6-9-13(2)10-12(11)14(3)7-5-8-15(13,14)4/h6,12H,5,7-10H2,1-4H3/t12?,13-,14+,15-/m0/s1
IUPAC Standard InChIKey: RMKQBFUAKZOVPQ-DKUMPPAJSA-N
Chemical structure:
This structure is also available as a 2d Mol file
Stereoisomers:
- (3aR,4R,8R,8aS)-3a,4,7,8a-Tetramethyl-1,2,3,3a,4,5,8,8a-octahydro-4,8-methanoazulene
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Gas Chromatography

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

Kovats' RI, polar column, isothermal

Column type	Active phase	Temperature (C)	I	Reference	Comment
Packed	Carbowax 20M	150.	1623.	Andersen, Bissonette, et al., 1977	Column length: 7.3 m
Packed	Carbowax 20M	150.	1628.	Andersen, Bissonette, et al., 1977	Column length: 7.3 m
Packed	Carbowax 20M	150.	1627.5	Andersen, Bissonette, et al., 1977	Column length: 7.3 m
Packed	Carbowax 20M	150.	1623.	Andersen, Bissonette, et al., 1977	Column length: 7.3 m
Packed	Carbowax 20M	150.	1628.	Andersen, Bissonette, et al., 1977	Column length: 7.3 m

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

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Column type	Active phase	I	Reference	Comment
Capillary	RTX-1	1410.	Paolini J., Costa J., et al., 2007	60. m/0.22 mm/0.25 μm, He, 2. K/min, 230. C @ 35. min; T_start: 60. C
Capillary	CP Sil 5 CB	1414.	Ziegenbein, Hanssen, et al., 2006	25. m/0.25 mm/0.4 μm, He, 10. K/min; T_start: 80. C; T_end: 270. C

Normal alkane RI, non-polar column, temperature ramp

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Column type	Active phase	I	Reference	Comment
Capillary	CP-Sil 5 CB	1432.	Hnawia, Menut, et al., 2009	30. m/0.25 mm/0.25 μm, Nitrogen, 5. K/min; T_start: 50. C; T_end: 200. C
Capillary	BPX-5	1409.	Fons, Rapior, et al., 2006	25. m/0.20 mm/0.13 μm, Helium, 50. C @ 2. min, 3. K/min; T_end: 230. C
Capillary	DB-1	1416.	Iranshahi, Amin, et al., 2006	30. m/0.25 mm/0.25 μm, He, 50. C @ 1. min, 2.5 K/min, 265. C @ 20. min
Capillary	DB-1	1413.	Cégiéla-Carlioz, Bessière, et al., 2005	25. m/0.25 mm/0.25 μm, He, 50. C @ 3. min, 3. K/min; T_end: 250. C
Capillary	CP Sil 5 CB	1410.	Rohloff and Bones, 2005	30. m/0.25 mm/0.25 μm, He, 40. C @ 1. min, 4. K/min; T_end: 220. C
Capillary	CP Sil 5 CB	1410.	Rohloff and Bones, 2005	30. m/0.25 mm/0.25 μm, He, 40. C @ 1. min, 4. K/min; T_end: 220. C

References

Go To: Top, Gas Chromatography, Notes

Andersen, Bissonette, et al., 1977
Andersen, N.H.; Bissonette, P.; Liu, C.-B.; Shunk, B.; Ohta, Y.; Tseng, C.-L.W.; Moore, A.; Huneck, S., Sesquiterpenes of nine European liverworts from the genera, Anastrepta, Bazzania, Jungermannia, Lepidozia, and Scapania, Phytochemistry, 1977, 16, 11, 1731-1751, https://doi.org/10.1016/0031-9422(71)85081-1 . [all data]

Paolini J., Costa J., et al., 2007
Paolini J.; Costa J.; Bernardini A.F., Analysis of the essential oil from the roots of Eupatorium cannabinum subsp corsicum (L.) by GC, GC-MS and C-13-NMR, Phytochem. Anal., 2007, 18, 3, 235-244, https://doi.org/10.1002/pca.977 . [all data]

Ziegenbein, Hanssen, et al., 2006
Ziegenbein, F.C.; Hanssen, H.-P.; König, W.A., Chemical constituents of the essential oils of three wood-rotting fungi, Flavour Fragr. J., 2006, 21, 5, 813-816, https://doi.org/10.1002/ffj.1732 . [all data]

Hnawia, Menut, et al., 2009
Hnawia, E.; Menut, C.; Agrebi, A.; Cabalion, P., Wood essential oil of two endemic trees from New Caledonia: Callitris sulcata (Parl.) Schltr. and Callitris neocaledonica Dummer, Biochem. Systematics Ecol., 2009, 36, 11, 859-866, https://doi.org/10.1016/j.bse.2008.08.007 . [all data]

Fons, Rapior, et al., 2006
Fons, F.; Rapior, S.; Fruchier, A., Volatile composition of Clitocybe amoenolens, Tricholoma caligatum and Hebeloma radicosum, Cryptogamie, Mycologie, 2006, 27, 1, 45-55. [all data]

Iranshahi, Amin, et al., 2006
Iranshahi, M.; Amin, G.; Sourmaghi, M.S.; Shafiee, A.; Hadjiakhoondi, A., Sulphur-containing compounds in the essential oil of the root of Ferula persica Willd. var. persica, Flavour Fragr. J., 2006, 21, 2, 260-261, https://doi.org/10.1002/ffj.1574 . [all data]

Cégiéla-Carlioz, Bessière, et al., 2005
Cégiéla-Carlioz, P.; Bessière, J.-M.; David, B.; Mariotte, A.-M.; Gibbons, S.; Dijoux-Franca, M.-G., Modulation of multi-drug resistance (MDR) in Staphylococcus aureus by Osha (Ligusticum porteri L., Apiaceae) essential oil compounds, Flavour Fragr. J., 2005, 20, 6, 671-675, https://doi.org/10.1002/ffj.1584 . [all data]

Rohloff and Bones, 2005
Rohloff, J.; Bones, A.M., Volatile profiling of Arabidopsis thaliana - Putative olfactory compounds in plant communication, Phytochemistry, 2005, 66, 16, 1941-1955, https://doi.org/10.1016/j.phytochem.2005.06.021 . [all data]

Notes

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Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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