(1S,4aR,8aS)-1-Isopropyl-7-methyl-4-methylene-1,2,3,4,4a,5,6,8a-octahydronaphthalene
- Formula: C15H24
- Molecular weight: 204.3511
- IUPAC Standard InChI: InChI=1S/C15H24/c1-10(2)13-8-6-12(4)14-7-5-11(3)9-15(13)14/h9-10,13-15H,4-8H2,1-3H3
- IUPAC Standard InChIKey: WRHGORWNJGOVQY-UHFFFAOYSA-N
- CAS Registry Number: 6980-46-7
- 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: γ-Amorphene
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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 | CP-Sil 8CB-MS | DB-5MS | CP-Sil | SE-52 | SE-30 |
| Column length (m) | 30. | 30. | 30. | 30. | |
| Carrier gas | Helium | He | Helium | He | |
| Substrate | |||||
| Column diameter (mm) | 0.25 | 0.25 | 0.25 | 0.32 | |
| Phase thickness (μm) | 0.25 | 0.25 | 0.25 | 0.15 | |
| 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 -> 260 0C | 60C => 1C/min => 65C => 3C/min => 120C => 5C/min => 180C(5min) => 5C/min => 250C (20min) | 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 | 45C => 1C/min => 100C => 5C/min => 250C (10min) | not specified |
| I | 1497. | 1495. | 1497. | 1496. | 1485. |
| Reference | Profitt, Schatz, et al., 2008 | Barra A., Coroneo V., et al., 2007 | Proffit, 2007 | Tognolini, Barocelli, et al., 2006 | Vinogradov, 2004 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary | Capillary |
|---|---|---|
| Active phase | SE-54 | CP Sil 5 CB |
| Column length (m) | 25. | 25. |
| Carrier gas | H2 | |
| Substrate | ||
| Column diameter (mm) | 0.25 | 0.39 |
| Phase thickness (μm) | 0.25 | |
| Program | 110C(2min) => 3C/min => 130C => 8.5C => 290C | not specified |
| I | 1478. | 1488. |
| Reference | Lima, Veiga, et al., 2003 | Weyerstahl, Marschall, et al., 1999 |
| 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.
Profitt, Schatz, et al., 2008
Profitt, M.; Schatz, B.; Bessiere, J.-M.; Chen, C.; Soler, C.; Hossaert-McKey, M.,
Signalling receptivity: comparison of the emission of volatile compounds by figs of Ficus hispida before, during and after the phase of receptivity to pollinators,
Symbiosis, 2008, 45, 1-10. [all data]
Barra A., Coroneo V., et al., 2007
Barra A.; Coroneo V.; Dessi S.; Cabras P.; Angioni A.,
Characterization of the volatile constituents in the essential oil of Pistacia lentiscus L. from different origins and its antifungal and antioxidant activity,
J. Agric. Food Chem., 2007, 55, 17, 7093-7098, https://doi.org/10.1021/jf071129w
. [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]
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]
Vinogradov, 2004
Vinogradov, B.A.,
Production, composition, properties and application of essential oils, 2004, retrieved from http://viness.narod.ru. [all data]
Lima, Veiga, et al., 2003
Lima, S.R.M.; Veiga, V.F., Jr.; Christo, H.B.; Pinto, A.C.; Fernandes, P.D.,
In vivo and in vitro studies on the anticancer activity of Copaifera multijuga Hayne and its fractions,
Phytother. Res., 2003, 17, 9, 1048-1053, https://doi.org/10.1002/ptr.1295
. [all data]
Weyerstahl, Marschall, et al., 1999
Weyerstahl, P.; Marschall, H.; Splittgerber, U.; Son, P.T.; Giang, P.M.; Kaul, V.K.,
Constituents of the essential oil from the fruits of Zanthoxylum rhetsoides Drake from Vietnam and from the aerial parts of Zanthoxylum alatum Roxb. from India,
Flavour Fragr. J., 1999, 14, 4, 225-229, https://doi.org/10.1002/(SICI)1099-1026(199907/08)14:4<225::AID-FFJ818>3.0.CO;2-1
. [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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