β-Copaene
- Formula: C15H24
- Molecular weight: 204.3511
- IUPAC Standard InChIKey: UPVZPMJSRSWJHQ-UWMJVVDFSA-N
- CAS Registry Number: 18252-44-3
- 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:
- Other names: Tricyclo[4.4.0.0(2,7)]decane, 1-methyl-3-methylene-8-(1-methylethyl)-, stereoisomer; (1R,2S,6S,7S,8S)-8-Isopropyl-1-methyl-3-methylenetricyclo[4.4.0.02,7]decane-rel-; Tricyclo[4.4.0.02,7]decane, 1-methyl-3-methylene-8-(1-methylethyl)-, (1R,2S,6S,7S,8S)-rel-; Tricyclo[4.4.0.02,7]decane, 1-methyl-3-methylene-8-(1-methylethyl)-, stereoisomer; Tricyclo[4.4.0.02,7]decane, 8-isopropyl-1-methyl-3-methylene-, anti-8-; (.+/-.)-β-Copaene; cis-β-Copaene
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- Other data available:
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Kovats' RI, non-polar column, temperature ramp
Go To: Top, References, Notes
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
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | DB-5 | DB-1 | DB-5 | DB-5 | HP-5MS |
Column length (m) | 30. | 25. | 30. | 30. | 30. |
Carrier gas | He | He | He | He | |
Substrate | |||||
Column diameter (mm) | 0.25 | 0.2 | 0.25 | 0.26 | 0.25 |
Phase thickness (μm) | 0.25 | 0.25 | 0.25 | 0.25 | |
Tstart (C) | 60. | 60. | 40. | 60. | 50. |
Tend (C) | 220. | 210. | 246. | 250. | |
Heat rate (K/min) | 3. | 3. | 2. | 3. | 3. |
Initial hold (min) | 3. | 2. | 10. | ||
Final hold (min) | 33. | 5. | |||
I | 1430. | 1437. | 1428. | 1432. | 1433. |
Reference | Lucero, Fredrickson, et al., 2006 | Mevy, Bessiere, et al., 2006 | Sylvestre, Pichette, et al., 2006 | Adams, Morris, et al., 2005 | Asuming, Beauchamp, et al., 2005 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | HP-5 | DB-5 | CP Sil 8 CB | HP-5MS | DB-5 |
Column length (m) | 30. | 25. | 30. | 30. | 30. |
Carrier gas | He | He | H2 | He | He |
Substrate | |||||
Column diameter (mm) | 0.25 | 0.25 | 0.25 | 0.25 | 0.26 |
Phase thickness (μm) | 0.25 | 0.25 | 0.25 | 0.25 | 0.25 |
Tstart (C) | 60. | 60. | 50. | 50. | 60. |
Tend (C) | 260. | 180. | 220. | 250. | 240. |
Heat rate (K/min) | 3. | 5. | 3. | 3. | 3. |
Initial hold (min) | 6. | 2. | |||
Final hold (min) | 15. | ||||
I | 1430. | 1428. | 1437. | 1428. | 1428. |
Reference | Lopes, Strobl, et al., 2004 | Merle, Morón, et al., 2004 | Schwob, Bessiere, et al., 2004 | Salido, Altarejos, et al., 2002 | Adams, 2000 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary |
---|---|---|
Active phase | OV-101 | Methyl Silicone |
Column length (m) | 25. | 12. |
Carrier gas | ||
Substrate | ||
Column diameter (mm) | 0.32 | 0.5 |
Phase thickness (μm) | ||
Tstart (C) | 50. | 70. |
Tend (C) | 200. | 250. |
Heat rate (K/min) | 5. | 4. |
Initial hold (min) | ||
Final hold (min) | 15. | |
I | 1402. | 1447.1 |
Reference | Kuiate, Zollo, et al., 1999 | Rao, Rajanikanth, et al., 1989 |
Comment | MSDC-RI | MSDC-RI |
References
Go To: Top, Kovats' RI, non-polar column, temperature ramp, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Lucero, Fredrickson, et al., 2006
Lucero, M.E.; Fredrickson, E.L.; Estell, R.E.; Morrison, A.A.; Richman, D.B.,
Volatile Composition of Gutierrezia sarothrae (Broom Snakeweed) as Determined by Steam Distillation and Solid Phase Microextraction,
J. Essent. Oil Res., 2006, 18, 2, 121-125, https://doi.org/10.1080/10412905.2006.9699039
. [all data]
Mevy, Bessiere, et al., 2006
Mevy, J.P.; Bessiere, J.M.; Rabier, J.; Dherbomez, M.; Ruzzier, M.; Millogo, J.; Viano, J.,
Composition and antimicrobial activities of the essential oil of Triumfetta rhomboidea Jacq.,
Flavour Fragr. J., 2006, 21, 1, 80-83, https://doi.org/10.1002/ffj.1511
. [all data]
Sylvestre, Pichette, et al., 2006
Sylvestre, M.; Pichette, A.; Longtin, A.; Nagau, F.; Legault, J.,
Essential oil analysis and anticancer activity of leaf essential oil of Croton flavens L. from Guadeloupe,
J. Ethnopharmacol., 2006, 103, 1, 99-102, https://doi.org/10.1016/j.jep.2005.07.011
. [all data]
Adams, Morris, et al., 2005
Adams, R.P.; Morris, J.A.; Pandey, R.N.; Schwarzbach, A.E.,
Cryptic speciation between Juniperus deltoides and Juniperus oxycedrus (Cupressaceae) in the Mediterranean,
Biochem. Syst. Ecol., 2005, 33, 8, 771-787, https://doi.org/10.1016/j.bse.2005.01.001
. [all data]
Asuming, Beauchamp, et al., 2005
Asuming, W.A.; Beauchamp, P.S.; Descalzo, J.T.; Dev, B.C.; Dev, V.; Frost, S.; Ma, C.W.,
Essential oil composition of four Lomatium Raf. species and their chemotaxonomy,
Biochem. Syst. Ecol., 2005, 33, 1, 17-26, https://doi.org/10.1016/j.bse.2004.06.005
. [all data]
Lopes, Strobl, et al., 2004
Lopes, D.; Strobl, H.; Kolodziejczyk, P.,
14-Methylpentadecano-15-lactone (Muscolide): a new macrocyclic lactone from the oil of Angelica archangelica L.,
Chemistry and Biodiversity, 2004, 1, 12, 1880-1887, https://doi.org/10.1002/cbdv.200490144
. [all data]
Merle, Morón, et al., 2004
Merle, H.; Morón, M.; Blázquez, A.; Boira, H.,
Taxonomical contribution of essential oils in mandarins cultivars,
Biochem. Syst. Ecol., 2004, 32, 5, 491-497, https://doi.org/10.1016/j.bse.2003.09.010
. [all data]
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]
Salido, Altarejos, et al., 2002
Salido, S.; Altarejos, J.; Nogueras, M.; Sánchez, A.; Pannecouque, C.; Witvrouw, M.; De Clercq, E.,
Chemical studies of essential oils of Juniperus oxycedrus ssp. badia,
J. Ethnopharmacol., 2002, 81, 1, 129-134, https://doi.org/10.1016/S0378-8741(02)00045-4
. [all data]
Adams, 2000
Adams, R.P.,
Systematics of Juniperus section Juniperus based on leaf essential oils and random amplified polymorphic DNAs (RAPDs),
Biochem. Syst. Ecol., 2000, 28, 6, 515-528, https://doi.org/10.1016/S0305-1978(99)00089-7
. [all data]
Kuiate, Zollo, et al., 1999
Kuiate, J.-R.; Zollo, P.-H.A.; Lamaty, G.; Menut, C.; Bessière, J.-M.,
Composition of the essential oils from the leaves of two varieties of Aspilia africana (Pers.) C. D. Adams from Cameroon,
Flavour Fragr. J., 1999, 14, 3, 167-169, https://doi.org/10.1002/(SICI)1099-1026(199905/06)14:3<167::AID-FFJ802>3.0.CO;2-O
. [all data]
Rao, Rajanikanth, et al., 1989
Rao, A.S.; Rajanikanth, B.; Seshadri, R.,
Volatile aroma components of Curcuma amada Roxb.,
J. Agric. Food Chem., 1989, 37, 3, 740-743, https://doi.org/10.1021/jf00087a036
. [all data]
Notes
Go To: Top, Kovats' RI, non-polar column, temperature ramp, References
- Symbols used in this document:
Tend Final temperature Tstart Initial temperature - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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