(3R,3aR,7R,8aS)-3,8,8-Trimethyl-6-methyleneoctahydro-1H-3a,7-methanoazulene
- 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/h11-13H,1,5-9H2,2-4H3
- IUPAC Standard InChIKey: DYLPEFGBWGEFBB-UHFFFAOYSA-N
- CAS Registry Number: 79120-98-2
- Chemical structure:
This structure is also available as a 2d Mol file - Species with the same structure:
- Stereoisomers:
- Other names: 1H-3a,7-Methanoazulene, octahydro-3,8,8-trimethyl-6-methylene-, (3R,3aR,7R,8aS)-; 1H-3a,7-Methanoazulene, octahydro-3,8,8-trimethyl-6-methylene-, [3R-(3α,3aα,7α,8aα)]-; 1,7-Di-epi-β-cedrene; β-Funebrene
- Information on this page:
- Other data available:
- Options:
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-1 | DB-1 | CP Sil 8 CB | DB-5 | SE-52 |
| Column length (m) | 30. | 30. | 50. | 30. | 30. |
| Carrier gas | Hydrogen | He | Helium | He | 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 | 0.15 |
| Program | 45 0C 3 0C/min -> 175 0C 15 0C/min -> 300 0C (10 min) | 45C => 3C/min => 175C => 15C/min => 300C (10min) | 60 0C (2 min) 5 0C/min -> 160 0C (1 min) 10 0C/min -> 280 0C (3 min) | 40C (5min) => 2C/min => 250C(15min) => 5C/min => 270C (10min) | 45C => 1C/min => 100C => 5C/min => 250C (10min) |
| I | 1404. | 1404. | 1415. | 1413. | 1415. |
| Reference | Mendes, Trindade, et al., 2009 | Nogueira, Marcelo-Curto, et al., 2008 | Radusiene, Judzentiene, et al., 2007 | Massardo, Senatore, et al., 2006 | Tognolini, Barocelli, et al., 2006 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary | Capillary |
|---|---|---|
| Active phase | OV-1 | CP Sil 8 CB |
| Column length (m) | 30. | 50. |
| Carrier gas | He | He |
| Substrate | ||
| Column diameter (mm) | 0.25 | 0.32 |
| Phase thickness (μm) | 0.25 | 0.25 |
| Program | 45 0C (4 min) 3 0C/min -> 75 0C 4 0C/min -> 115 0C 6 0C/min -> 312 0C | 60C(2min) => 5C/min => 160C(1min) => 10C/min => 250C (5min) |
| I | 1397. | 1410. |
| Reference | Hafez and Abdel-Salam, 2004 | Judpentienë and Mockutë, 2004 |
| Comment | 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.
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]
Nogueira, Marcelo-Curto, et al., 2008
Nogueira, T.; Marcelo-Curto, M.J.; Cristina Figueiredo, A.; Barroso, J.G.; Pedro, L.G.; Rubiolo, P.; Bicchi, C.,
Chemotaxonomy of Hypericum genus from Portugal: Geographical distribution and essential oils composition of Hypericum perfoliatum, Hypericum humifusum, Hypericum linarifolium and Hypericum pulchrum,
Biochem. Syst. Ecol., 2008, 36, 1, 40-50, https://doi.org/10.1016/j.bse.2007.07.004
. [all data]
Radusiene, Judzentiene, et al., 2007
Radusiene, J.; Judzentiene, A.; Peciulyte, D.; Janulis, V.,
Essential Oil Composition and Antimicrobial Assay of Acorus calamus Leaves from Different Wild Populations,
Plant Genetic Resources: Characterization and Utilization, 2007, 5, 1, 37-44, https://doi.org/10.1017/S1479262107390928
. [all data]
Massardo, Senatore, et al., 2006
Massardo, D.R.; Senatore, F.; Alifano, P.; del Giudice, L.; Pontieri, P.,
Vetiver oil production correlates with early root growth,
Biochem. Syst. Ecol., 2006, 34, 5, 376-382, https://doi.org/10.1016/j.bse.2005.10.016
. [all data]
Tognolini, Barocelli, et al., 2006
Tognolini, M.; Barocelli, E.; Ballabeni, V.; Bruni, R.; Bianchi, A.; Chiavarini, M.; Impicciatore, M.,
Comparative screening of plant essential oils: Phenylpropanoid moiety as basic core for antiplatelet activity,
Life Sciences, 2006, 78, 13, 1419-1432, https://doi.org/10.1016/j.lfs.2005.07.020
. [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]
Judpentienë and Mockutë, 2004
Judpentienë, A.; Mockutë, D.,
Chemical composition of essential oils of Artemisia absinthium L. (wormwood) growing wild in Vilnius,
Chemija, 2004, 15, 4, 64-68. [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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