(1S,2E,6E,10R)-3,7,11,11-Tetramethylbicyclo[8.1.0]undeca-2,6-diene
- Formula: C15H24
- Molecular weight: 204.3511
- IUPAC Standard InChI: InChI=1S/C15H24/c1-11-6-5-7-12(2)10-14-13(9-8-11)15(14,3)4/h6,10,13-14H,5,7-9H2,1-4H3/b11-6+,12-10+
- IUPAC Standard InChIKey: VPDZRSSKICPUEY-BFPRWLMKSA-N
- CAS Registry Number: 24703-35-3
- 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: Bicyclo[8.1.0]undeca-2,6-diene, 3,7,11,11-tetramethyl-, (1S,2E,6E,10R)-; Bicyclo[8.1.0]undeca-2,6-diene, 3,7,11,11-tetramethyl-, (E,E)-(1S,10R)-(+)-; Bicyclo[8.1.0]undeca-2,6-diene, 3,7,11,11-tetramethyl-, [1S-(1R*,2E,6E,10S*)]-; (+)-Bicyclogermacrene; Bicyclogermacren; Bicyclogermacrene; β-Cyclogermacrane; Bicylogermacrene
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Van Den Dool and Kratz RI, 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 | HP-Innowax | Carbowax 20M | RTX-Wax | RTX-Wax | BP-20 |
| Column length (m) | 30. | 25. | 60. | ||
| Carrier gas | He | H2 | |||
| Substrate | |||||
| Column diameter (mm) | 0.25 | 0.32 | 0.25 | ||
| Phase thickness (μm) | 0.25 | 0.25 | |||
| Program | 40C(8min) => 3C/min => 180C => 20C/min => 230C (20min) | 40C(8min) => 3C/min => 180C => 20C/min => 230C(10min) | not specified | not specified | not specified |
| I | 1752. | 1759. | 1688. | 1729. | 1722. |
| Reference | Carrer, Vanderlinde, et al., 2007 | Lorenzo, Paz, et al., 2005 | Dugo, Mondello, et al., 2004 | Cavalli, Ranarivelo, et al., 2001 | Filippini, Tomi, et al., 2000 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary |
|---|---|
| Active phase | HP-Innowax |
| Column length (m) | 30. |
| Carrier gas | He |
| Substrate | |
| Column diameter (mm) | 0.25 |
| Phase thickness (μm) | 0.25 |
| Program | 60C(8min) => 3C/min => 180C(5min) => 40C/min => 250C |
| I | 1720. |
| Reference | Bisio, Ciarallo, et al., 1998 |
| Comment | MSDC-RI |
References
Go To: Top, Van Den Dool and Kratz RI, 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.
Carrer, Vanderlinde, et al., 2007
Carrer, R.P.; Vanderlinde, R.; Dutra, S.; Marcon, A.; Echeverrigaray, S.,
Essential oil variation among Brazilian accessions of Salvia guaranitica L.,
Flavour Fragr. J., 2007, 22, 5, 430-434, https://doi.org/10.1002/ffj.1817
. [all data]
Lorenzo, Paz, et al., 2005
Lorenzo, D.; Paz, D.; Davies, P.; Villamil, J.; Vila, R.; Canigueral, S.; Dellacassa, E.,
Application of Multidimensional Gas Chromatography to the Enantioselective Characterisation of the Essential Oil of Eupatorium buniifolium Hooker et Arnott,
Phytochem. Anal., 2005, 16, 1, 39-44, https://doi.org/10.1002/pca.808
. [all data]
Dugo, Mondello, et al., 2004
Dugo, P.; Mondello, L.; Zappia, G.; Bonaccorsi, I.; Cotroneo, A.; Russo, M.T.,
The composition of the volatile fraction and the enantiomeric distribution of five volatile components of faustrime oil (Monocitrus australatica x Fortunella sp. x Citrus aurantifolia),
J. Essent. Oil Res., 2004, 16, 4, 328-333, https://doi.org/10.1080/10412905.2004.9698734
. [all data]
Cavalli, Ranarivelo, et al., 2001
Cavalli, J.-F.; Ranarivelo, L.; Ratsimbason, M.; Bernardini, A.-F.; Casanova, J.,
Constituents of the essential oil of six Helichrysum species from Madagascar,
Flavour Fragr. J., 2001, 16, 4, 253-256, https://doi.org/10.1002/ffj.994
. [all data]
Filippini, Tomi, et al., 2000
Filippini, M.-H.; Tomi, F.; Casanova, J.,
Composition of the leaf oil of Ferula arrigonii Bocchieri,
Flavour Fragr. J., 2000, 15, 3, 195-198, https://doi.org/10.1002/1099-1026(200005/06)15:3<195::AID-FFJ891>3.0.CO;2-6
. [all data]
Bisio, Ciarallo, et al., 1998
Bisio, A.; Ciarallo, G.; Romussi, G.; Fontana, N.; Mascolo, N.; Capasso, R.; Biscardi, D.,
Chemical Composition of Essential Oils from some Salvia species,
Phytother. Res., 1998, 12, S1, s117-s120, https://doi.org/10.1002/(SICI)1099-1573(1998)12:1+3.0.CO;2-2
. [all data]
Notes
Go To: Top, Van Den Dool and Kratz RI, polar column, custom temperature program, References
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