3H-3a,7-Methanoazulene, 2,4,5,6,7,8-hexahydro-1,4,9,9-tetramethyl-, [3aR-(3aα,4β,7α)]-
- Formula: C15H24
- Molecular weight: 204.3511
- IUPAC Standard InChIKey: RTBLDXVIGWSICW-UHFFFAOYSA-N
- CAS Registry Number: 2387-78-2
- 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:
- Stereoisomers:
- Other names: 3H-3aβ,7-Methanoazulene, 2,4,5,6,7α,8-hexahydro-1,4α,9,9-tetramethyl-, (-)-; Cyperene; (3aR,4R,7R)-1,4,9,9-Tetramethyl-3,4,5,6,7,8-hexahydro-2H-3a,7-methanoazulene
- Information on this page:
- Other data available:
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Van Den Dool and Kratz 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 | ZB-5 | HP-5MS | SPB-1 | DB-5 | DB-5 |
Column length (m) | 30. | 30. | 30. | 30. | 30. |
Carrier gas | He | He | He | He | He |
Substrate | |||||
Column diameter (mm) | 0.25 | 0.25 | 0.25 | 0.2 | 0.25 |
Phase thickness (μm) | 0.25 | 0.25 | 0.25 | 0.25 | 0.25 |
Tstart (C) | 50. | 80. | 50. | 50. | 60. |
Tend (C) | 250. | 300. | 250. | 250. | 240. |
Heat rate (K/min) | 3. | 4. | 5. | 5. | 3. |
Initial hold (min) | 3. | 3. | |||
Final hold (min) | 15. | 15. | |||
I | 1399. | 1406.3 | 1390. | 1398. | 1402. |
Reference | Simoniatto, Bonani, et al., 2007 | Zeng, Zhao, et al., 2007 | Blagojevic, Radulovic, et al., 2006 | Blagojevic, Radulovic, et al., 2006 | Block, Flamini, et al., 2006 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | HP-5MS | BP-1 | HP-5MS | DB-5 | RTX-1 |
Column length (m) | 30. | 50. | 30. | 25. | 60. |
Carrier gas | He | He | He | N2 | He |
Substrate | |||||
Column diameter (mm) | 0.25 | 0.22 | 0.25 | 0.25 | 0.22 |
Phase thickness (μm) | 0.25 | 0.25 | 0.25 | 0.25 | 0.25 |
Tstart (C) | 60. | 60. | 60. | 75. | 60. |
Tend (C) | 300. | 220. | 280. | 210. | 230. |
Heat rate (K/min) | 3. | 2. | 4. | 3. | 2. |
Initial hold (min) | 5. | 10. | |||
Final hold (min) | 20. | 1. | 45. | ||
I | 1400. | 1404. | 1401. | 1398. | 1401. |
Reference | Silva-Brandão, Solferini, et al., 2006 | Boti J.B., Koukoua G., et al., 2005 | Karioti, Hadjipavlou-Litina, et al., 2004 | bin Ahmad and bin Jantan, 2003 | Cavalli, Tomi, et al., 2003 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary |
---|---|---|---|
Active phase | DB-1 | DB-5 | HP-5MS |
Column length (m) | 25. | 30. | 30. |
Carrier gas | N2 | He | He |
Substrate | |||
Column diameter (mm) | 0.25 | 0.25 | 0.25 |
Phase thickness (μm) | 0.25 | 0.25 | |
Tstart (C) | 60. | 60. | 60. |
Tend (C) | 180. | 260. | 280. |
Heat rate (K/min) | 3. | 4. | 4. |
Initial hold (min) | 10. | 5. | |
Final hold (min) | 10. | ||
I | 1392. | 1398. | 1399. |
Reference | bin Jantan and bin Ahmad, 2002 | Javidnia, Miri, et al., 2002 | Skaltsa, Mavrommati, et al., 2001 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI |
References
Go To: Top, Van Den Dool and Kratz 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.
Simoniatto, Bonani, et al., 2007
Simoniatto, E.; Bonani, V.F.L.; Morel, A.F.; Poppi, N.R.; Raposo, J.L., Jr.; Stuker, C.Z.; Peruzzo, G.M.; Peres, M.T.L.P.; Hess, S.C.,
Chemical composition and evaluation of antibacterial and antioxidant activities of the essential oil of Croton urucurana Baillon (Euphorbiaceae) stem bark,
J. Braz. Chem., 2007, 18, 5, 879-885, https://doi.org/10.1590/S0103-50532007000500002
. [all data]
Zeng, Zhao, et al., 2007
Zeng, Y.-X.; Zhao, C.-X.; Liang, Y.-Z.; Yang, H.; Fang, H.-Z.; Yi, L.-Z.; Zeng, Z.-D.,
Comparative analysis of volatile components from Clematis species growing in China,
Anal. Chim. Acta., 2007, 595, 1-2, 328-339, https://doi.org/10.1016/j.aca.2006.12.022
. [all data]
Blagojevic, Radulovic, et al., 2006
Blagojevic, P.; Radulovic, N.; Palic, R.; Stojanovic, G.,
Chemical composition of the essential oils of Serbian wild-growing Srtemisia absinthium and Artemisia vulgaris,
J. Agric. Food Chem., 2006, 54, 13, 4780-4789, https://doi.org/10.1021/jf060123o
. [all data]
Block, Flamini, et al., 2006
Block, S.; Flamini, G.; Brkic, D.; Morelli, I.; Quetin-Leclercq, J.,
Analysis of the essential oil from leaves of Croton zambesicus Muell. Arg. growing in Benin,
Flavour Fragr. J., 2006, 21, 2, 222-224, https://doi.org/10.1002/ffj.1558
. [all data]
Silva-Brandão, Solferini, et al., 2006
Silva-Brandão, K.L.; Solferini, V.N.; Trigo, J.R.,
Chemical and phylogenetic relationships among Aristolochia L. (Aristolochiaceae) from southeastern Brazil,
Biochem. Syst. Ecol., 2006, 34, 4, 291-302, https://doi.org/10.1016/j.bse.2005.10.011
. [all data]
Boti J.B., Koukoua G., et al., 2005
Boti J.B.; Koukoua G.; N'Guessan T.Y.; Muselli A.; Bernardini A.F.; Casanova J.,
Composition of the leaf, stem bark and root bark oils of Isolona cooperi investigated by GC (retention index), GC-MS and C-13-NMR spectroscopy,
Phytochem. Anal., 2005, 16, 5, 357-363, https://doi.org/10.1002/pca.857
. [all data]
Karioti, Hadjipavlou-Litina, et al., 2004
Karioti, A.; Hadjipavlou-Litina, D.; Mensah, M.L.K.; Fleischer, T.C.; Skaltsa, H.,
Composition and antioxidant activity of the essential oils of Xylopia aethiopica (Dun) A. Rich. (Annonaceae) leaves, stem bark, root bark, and fresh and dried fruits, growing in Ghana,
J. Agric. Food Chem., 2004, 52, 26, 8094-8098, https://doi.org/10.1021/jf040150j
. [all data]
bin Ahmad and bin Jantan, 2003
bin Ahmad, F.; bin Jantan, I.,
Chemical constituents of the essential oils of Goniothalamus uvariodes King,
Flavour Fragr. J., 2003, 18, 2, 128-130, https://doi.org/10.1002/ffj.1142
. [all data]
Cavalli, Tomi, et al., 2003
Cavalli, J.-F.; Tomi, F.; Bernardini, A.-F.; Casanova, J.,
Composition and chemical variability of the bark oil of Cedrelopsis grevei H. Baillon from Madagascar,
Flavour Fragr. J., 2003, 18, 6, 532-538, https://doi.org/10.1002/ffj.1263
. [all data]
bin Jantan and bin Ahmad, 2002
bin Jantan, I.; bin Ahmad, F.,
Chemical constituents of the essential oils of Goniothalamus malayanus Hook. f. and Thoms.,
Flavour Fragr. J., 2002, 17, 5, 372-374, https://doi.org/10.1002/ffj.1107
. [all data]
Javidnia, Miri, et al., 2002
Javidnia, K.; Miri, R.; Kamalinejad, M.; Nasiri, A.,
Composition of the essential oil of Salvia mirzayanii Rech. f. Esfand from Iran,
Flavour Fragr. J., 2002, 17, 6, 465-467, https://doi.org/10.1002/ffj.1128
. [all data]
Skaltsa, Mavrommati, et al., 2001
Skaltsa, H.D.; Mavrommati, A.; Constantinidis, T.,
A chemotaxonomic investigation of volatile constituents in Stachys subsect. Swainsonianeae (Labiatae),
Phytochemistry, 2001, 57, 2, 235-244, https://doi.org/10.1016/S0031-9422(01)00003-6
. [all data]
Notes
Go To: Top, Van Den Dool and Kratz 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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