Spiro[5.5]undec-2-ene, 3,7,7-trimethyl-11-methylene-, (-)-
- Formula: C15H24
- Molecular weight: 204.3511
- IUPAC Standard InChIKey: WLNGPDPILFYWKF-UHFFFAOYSA-N
- CAS Registry Number: 18431-82-8
- 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. - Other names: β-Chamigrene; Chamigren; Chamigrene; Spiro[5.5]undec-2-ene, 3,7,7-trimethyl-11-methylene-, (R)-; (R)-3,7,7-Trimethyl-11-methylenespiro[5.5]undec-2-ene; 3,7,7-Trimethyl-11-methylenespiro[5.5]undec-2-ene
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- Other data available:
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Normal alkane RI, non-polar column, custom temperature program
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 | HP-5 | DB-5 | CP Sil 8 CB |
Column length (m) | 30. | 30. | 30. | 30. | 50. |
Carrier gas | Helium | Helium | Helium | He | |
Substrate | |||||
Column diameter (mm) | 0.25 | 0.25 | 0.32 | 0.25 | 0.32 |
Phase thickness (μm) | 0.25 | 0.25 | 0.25 | 0.25 | |
Program | not specified | not specified | not specified | 50 0C 95 min) 3 0C/min -> 100 0C 4 0C/min -> 160 0C 5 0C/min -> 220 0C (15 min) | 60C(2min) => 5C/min => 160C(1min) => 10C/min => 250C (5min) |
I | 1476. | 1474. | 1474. | 1478. | 1478. |
Reference | Rodriques, Amorim, et al., 2013 | Xu, Tang, et al., 2010 | Riahi, Pourbasheer, et al., 2009 | Yang, Yang, et al., 2009 | Judzentiene and Buzelyte, 2006 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | DB-5 | HP-5MS | HP-5MS | OV-1 | Methyl Silicone |
Column length (m) | 30. | 30. | 30. | 30. | |
Carrier gas | He | He | He | He | He |
Substrate | |||||
Column diameter (mm) | 0.25 | 0.25 | 0.25 | 0.25 | |
Phase thickness (μm) | 0.1 | 0.25 | 0.25 | 0.25 | |
Program | 35C => 4C/min => 180C => 20C/min => 280C | 40C (2min) => 10C/min => 200C => 15C/min => 250C (5min) | 40C (2min) => 10C/min => 200C => 15C/min => 250C (5min) | 45 0C (4 min) 3 0C/min -> 75 0C 4 0C/min -> 115 0C 6 0C/min -> 312 0C | 60 0C 3 0C/min -> 200 0C 15 0C/min -> 250 0C (5 min) |
I | 1475. | 1490. | 1490. | 1467. | 1473. |
Reference | Barros-Filho, Nunes, et al., 2004 | Demyttenaere, Moriña, et al., 2004 | Demyttenaere, Moriña, et al., 2004 | Hafez and Abdel-Salam, 2004 | Demyttenaere, Morina, et al., 2003 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|
Active phase | HP-5MS | DB-5 | CP Sil 5 CB | DB-5 |
Column length (m) | 25. | 30. | 25. | 30. |
Carrier gas | He | He | N2 | |
Substrate | ||||
Column diameter (mm) | 0.25 | 0.25 | 0.25 | |
Phase thickness (μm) | 0.25 | 0.25 | 0.25 | |
Program | 40C(2min) => 8C/min => 160C => 15C/min => 250C(3min) | 40C => 2C/min => 60C => 4C/min => 260C | not specified | 35C(1min) => 5C/min => 230C => 20C/min => 280C |
I | 1473. | 1475. | 1501. | 1481. |
Reference | Demyttenaere, Moriña, et al., 2002 | Andrade, Maia, et al., 2000 | Phan, Van, et al., 1998 | Jelen H.H., Mirocha C.J., et al., 1995 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
References
Go To: Top, Normal alkane RI, non-polar column, custom temperature program, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Rodriques, Amorim, et al., 2013
Rodriques, K.A. da.F.; Amorim, L.V.; de Oliveira, J.M.G.; Dias, C.N.; Moraes, D.F.C.; Andrade, E.H. deA.; Maia, J.G.S.; Carneiro, S.M.P.; Carvalho, F.A. deA.,
Eugenia uniflora L. essential oil as a potential anti-Leishmania agent: effect on Leishmania amazonensis and possible mechanism of action,
Evidence-Based Complementary and Alternative Medicine, 2013, 2013, 1-10, https://doi.org/10.1155/2013/279726
. [all data]
Xu, Tang, et al., 2010
Xu, X.; Tang, Z.; Liang, Y.,
Comparative analysis of plant essential oils by GC-MS coupled with integrated chemometric resolution methods,
Anal. Methods, 2010, 2, 4, 359-367, https://doi.org/10.1039/b9ay00213h
. [all data]
Riahi, Pourbasheer, et al., 2009
Riahi, S.; Pourbasheer, E.; Ganjali, M.R.; Norouzi, P.,
Investigation of different linear and non-linear chemometric methods for modeling of retention index of essential oil components: Concerns to support vector mashine,
J. Hazard. Mat., 2009, 166, 2-3, 853-859, https://doi.org/10.1016/j.jhazmat.2008.11.097
. [all data]
Yang, Yang, et al., 2009
Yang, Z.; Yang, W.; Peng, Q.; He, Q.; Feng, Y.; Luo, S.; Yu, Z.,
Volatile phytochemical composition of rhisome of ginger after extraction by headspace solid-phase microextraction, petrol ether extraction and steam distillation extraction,
Bangladesh J. Pharmacol., 2009, 4, 2, 136-143, https://doi.org/10.3329/bjp.v4i2.3232
. [all data]
Judzentiene and Buzelyte, 2006
Judzentiene, A.; Buzelyte, J.,
Chemical composition of essential oils of Artemisia vulgaris L. (mugwort) from North Lithuania,
Chemija, 2006, 17, 1, 12-15. [all data]
Barros-Filho, Nunes, et al., 2004
Barros-Filho, B.A.; Nunes, F.M.; de Oliveira, M.C.F.; Mafezoli, J.; Andrade-Neto, M.; Silveira, E.R.; Pirani, J.R.,
Volatile constituents from Esenbeckia almawillia (Rutaceae),
Biochem. Syst. Ecol., 2004, 32, 9, 817-821, https://doi.org/10.1016/j.bse.2004.02.003
. [all data]
Demyttenaere, Moriña, et al., 2004
Demyttenaere, J.C.R.; Moriña, R.M.; De Kimpe, N.; Sandra, P.,
Use of headspace solid-phase microextraction and headspace sorptive extraction for the detection of the volatile metabolites produced by toxigenic Fusarium species,
J. Chromatogr. A, 2004, 1027, 1-2, 147-154, https://doi.org/10.1016/j.chroma.2003.08.105
. [all data]
Hafez and Abdel-Salam, 2004
Hafez, S.S.; Abdel-Salam, H.A.,
chemical composition and antimicrobial activity of the volatile constituents of thuja occidentalis L. growing in Egipt,
Alexandria J. Pharm. Sci., 2004, 18, 1, 41-47. [all data]
Demyttenaere, Morina, et al., 2003
Demyttenaere, J.C.R.; Morina, R.M.; Sandra, P.,
Monitoring and fast detection of mycotoxin-producing fungi based on headspace solid-phase microextraction and headspace sorptive extraction of the volatile metabolites,
J. Chromatogr. A, 2003, 985, 1-2, 127-135, https://doi.org/10.1016/S0021-9673(02)01417-6
. [all data]
Demyttenaere, Moriña, et al., 2002
Demyttenaere, J.C.R.; Moriña, R.M.; Sandra, P.; Schelfaut, M.,
Monitoring and fast detection of mycotoxin-producing fungi based on headspace solid-phase microextraction and headspace sorptive extraction of the volatile metabolites
in 25th International Symposium on Capillary Chromatography, 2002, 1-12. [all data]
Andrade, Maia, et al., 2000
Andrade, E.H.A.; Maia, J.G.S.; Zoghbi, M.G.B.,
Aroma volatile constituents of Brazilian varieties of mango fruit,
J. Food Comp. Anal., 2000, 13, 1, 27-33, https://doi.org/10.1006/jfca.1999.0841
. [all data]
Phan, Van, et al., 1998
Phan, M.G.; Van, N.H.; Phan, T.S.,
Sesquiterpenoids fron the rhizomes of Curcuma aff. aeruginosa Roxb. of Vietnam,
Tap chi Hoa hoc, 1998, 36, 3, 67-72. [all data]
Jelen H.H., Mirocha C.J., et al., 1995
Jelen H.H.; Mirocha C.J.; Wasowicz E.; Kaminski E.,
Production of volatile sesquiterpenes by Fusarium sambucinum strans with different abilities to synthesize trichlothecenes,
Appl. Environ. Microbiol., 1995, 61, 11, 3815-3820. [all data]
Notes
Go To: Top, Normal alkane RI, non-polar column, custom temperature program, References
- Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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