Di-epi-α-cedrene

Formula: C₁₅H₂₄
Molecular weight: 204.3511
IUPAC Standard InChI: InChI=1S/C15H24/c1-10-7-8-15-9-12(10)14(3,4)13(15)6-5-11(15)2/h7,11-13H,5-6,8-9H2,1-4H3
IUPAC Standard InChIKey: IRAQOCYXUMOFCW-UHFFFAOYSA-N
CAS Registry Number: 50894-66-1
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.
Species with the same structure:
- 2-epi-α-Funebrene
- 1H-3a,7-Methanoazulene,2,3,4,7,8,8a -hexahydro-3,6,8,8-tetramethyl-
Stereoisomers:
Other names: α-Funebrene; di-epi-Cedrene
Information on this page:
Other data available:
- Mass spectrum (electron ionization)
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Gas Chromatography

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

Kovats' RI, non-polar column, temperature ramp

Column type	Active phase	I	Reference	Comment
Capillary	CP Sil 8 CB	1398.	Schwob, Bessiere, et al., 2004	30. m/0.25 mm/0.25 μm, H2, 50. C @ 2. min, 3. K/min; T_end: 220. C

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

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Column type	Active phase	I	Reference	Comment
Capillary	BP-1	1385.	Duquesnoy, Dinh, et al., 2006	50. m/0.22 mm/0.25 μm, He, 2. K/min, 220. C @ 20. min; T_start: 60. C
Capillary	BP-1	1383.	Gonny, Cavaleiro, et al., 2006	50. m/0.22 mm/0.25 μm, He, 2. K/min, 220. C @ 20. min; T_start: 60. C

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

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Column type	Active phase	I	Reference	Comment
Capillary	BP-20	1501.	Duquesnoy, Dinh, et al., 2006	50. m/0.22 mm/0.25 μm, He, 2. K/min, 220. C @ 20. min; T_start: 60. C
Capillary	BP-20	1503.	Gonny, Cavaleiro, et al., 2006	50. m/0.22 mm/0.25 μm, He, 2. K/min, 220. C @ 20. min; T_start: 60. C

Normal alkane RI, non-polar column, temperature ramp

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Column type	Active phase	I	Reference	Comment
Capillary	DB-5	1427.	Yousefzadi, Heidari, et al., 2011	Nitrogen, 60. C @ 1. min, 4. K/min, 250. C @ 10. min; Column length: 30. m; Column diameter: 0.25 mm
Capillary	CP-Sil 5 CB	1394.	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	ZB-1	1387.	Mierendorff, Stahl-Biskup, et al., 2008	30. m/0.25 mm/0.25 μm, Nitrogen, 3. K/min; T_start: 45. C; T_end: 230. C
Capillary	HP-5	1385.	Champagnat, Figueredo, et al., 2006	25. m/0.25 mm/0.25 μm, He, 50. C @ 5. min, 5. K/min; T_end: 300. C
Capillary	HP-5	1400.	Oyedeji, Yani, et al., 2005	30. m/0.25 mm/0.25 μm, He, 5. K/min; T_start: 70. C; T_end: 240. C
Capillary	DB-5	1405.	Juteau, Jerkovic, et al., 2003	50. m/0.2 mm/0.25 μm, He, 50. C @ 2. min, 3. K/min, 220. C @ 10. min
Capillary	ZB-1	1387.	Mierendorff, Stahl-Biskup, et al., 2003	30. m/0.25 mm/0.25 μm, N2, 3. K/min; T_start: 45. C; T_end: 230. C
Capillary	MDN-5	1399.	Jelén, 2002	30. m/0.25 mm/0.25 μm, 40. C @ 3. min, 8. K/min; T_end: 280. C

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

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Column type	Active phase	I	Reference	Comment
Capillary	DB-1	1375.	Mendes, Trindade, et al., 2009	30. m/0.25 mm/0.25 μm, Hydrogen; Program: 45 0C 3 0C/min -> 175 0C 15 0C/min -> 300 0C (10 min)
Capillary	CP-Sil	1382.	Proffit, 2007	30. m/0.25 mm/0.25 μm, Helium; Program: 50 0C (3 min) 3 0C/min -> 100 0C 2.7 0C/min -> 140 0C 2.4 0C/min -> 180 0C 6 0C/min -> 250 0C
Capillary	CP Sil 5 CB	1383.	Weyerstahl, Marschall, et al., 2000	Column length: 25. m; Program: not specified

Normal alkane RI, polar column, custom temperature program

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Column type	Active phase	I	Reference	Comment
Capillary	Innowax	1587.	Tunaher, Kirimer, et al., 2003	60. m/0.25 mm/0.25 μm, He; Program: 60C(10min) => 4C/min => 220C(10min) => 1C/min => 240C (20min)

References

Go To: Top, Gas Chromatography, Notes

Schwob, Bessiere, et al., 2004
Schwob, I.; Bessiere, J.-M.; Masotti, V.; Viano, J., Changes in essential oil composition in Saint John's wort (Hypericum perforatum L.) aerial parts during its phenological cycle, Biochem. Syst. Ecol., 2004, 32, 8, 735-745, https://doi.org/10.1016/j.bse.2003.12.005 . [all data]

Duquesnoy, Dinh, et al., 2006
Duquesnoy, E.; Dinh, N.H.; Castola, V.; Casanova, J., Composition of a Pyrolytic oil from Cupressus funebris Endl. of Vietnamese origin, Flavour Fragr. J., 2006, 21, 3, 453-457, https://doi.org/10.1002/ffj.1676 . [all data]

Gonny, Cavaleiro, et al., 2006
Gonny, M.; Cavaleiro, C.; Salgueiro, L.; Casanova, J., Analysis of Juniperus communis subsp. alpina needle, berry, wood and root oils by combination of GC, GC/MS and ¹³C-NMR, Flavour Fragr. J., 2006, 21, 1, 99-106, https://doi.org/10.1002/ffj.1527 . [all data]

Yousefzadi, Heidari, et al., 2011
Yousefzadi, M.; Heidari, M.; Akbarpour, M.; Mirjalili, M.H.; Zainali, A.; Parsa, M., in vitro cytotoxic activity of the essential oil of Dorema ammoniacum D. Don., Middle-East J. Sci. Res., 2011, 7, 4, 511-514. [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]

Mierendorff, Stahl-Biskup, et al., 2008
Mierendorff, H.-G.; Stahl-Biskup, E.; Posthumus, M.A.; van Beek, T.A., Composition of commercial Cape chamomile oil (Eriocephalus punctuatus / Eriocephalus tenuifolius), 2008, retrieved from http://www.chemische-analysen-hamburg.de/Publikationen?Cape_Chamomile_Oil/. [all data]

Champagnat, Figueredo, et al., 2006
Champagnat, P.; Figueredo, G.; Chalchat, J.-C.; Bessiere, J.-M., Essential oil composition of Vetiveria nigritana from Mali, J. Essent. Oil Res., 2006, 18, 6, 647-649, https://doi.org/10.1080/10412905.2006.9699193 . [all data]

Oyedeji, Yani, et al., 2005
Oyedeji, O.A.; Yani, V.V.; Afolayan, A.J., Chemical composition of the essential oil from Arctotis arctotoides (L.F.) O. Hoffm. (syn. Vendium arctotoides Less.), Flavour Fragr. J., 2005, 20, 2, 232-234, https://doi.org/10.1002/ffj.1437 . [all data]

Juteau, Jerkovic, et al., 2003
Juteau, F.; Jerkovic, I.; Masotti, V.; Milos, M.; Mastelic, J.; Bessière, J.-M.; Viano, J., Composition and antimicrobial activity of the essential oil of Artemisia absinthium from Croatia and France, Planta Medica, 2003, 69, 2, 158-161, https://doi.org/10.1055/s-2003-37714 . [all data]

Mierendorff, Stahl-Biskup, et al., 2003
Mierendorff, H.-G.; Stahl-Biskup, E.; Posthumus, M.A.; van Beek, T.A., Composition of commercial Cape chamomile oil (Eriocephalus punctulatus), Flavour Fragr. J., 2003, 18, 6, 510-514, https://doi.org/10.1002/ffj.1259 . [all data]

Jelén, 2002
Jelén, H.H., Volatile sesquiterpene hydrocarbons characteristic for Penicillium roqueforti strains producing PR toxin, J. Agric. Food Chem., 2002, 50, 22, 6569-6574, https://doi.org/10.1021/jf020311o . [all data]

Mendes, Trindade, et al., 2009
Mendes, M.D.; Trindade, H.; Figueiredo, A.C.; Pedro, L.G.; Barroso, J.G., Chaerophyllum azoricun Trel. grown in the Azores archipelago, Portugal: evaluation of the genetic diversity using molecular markers and comparison with volatile oils profiles, Flavour Fragr. J., 2009, 24, 5, 259-265, https://doi.org/10.1002/ffj.1939 . [all data]

Proffit, 2007
Proffit, M., Mediation chimique et structuration des communautes d'hymenopteres parasites du mutualisme figuier / pollinisateur (These pour obtenir le grade de Docteur de l'Universite Montpellier II) (Dissertation), 2007. [all data]

Weyerstahl, Marschall, et al., 2000
Weyerstahl, P.; Marschall, H.; Splittgerber, U.; Wolf, D.; Surburg, H., Constituents of Haitian vetiver oil, Flavour Fragr. J., 2000, 15, 6, 395-412, https://doi.org/10.1002/1099-1026(200011/12)15:6<395::AID-FFJ930>3.0.CO;2-9 . [all data]

Tunaher, Kirimer, et al., 2003
Tunaher, Z.; Kirimer, N.; Baser, K.H.C., Wood essential oils of Juniperus foetidissima Willd., Holzforschung, 2003, 57, 140-144. [all data]

Notes

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Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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