Cabreuva oxide A
- Formula: C15H24O
- Molecular weight: 220.3505
- IUPAC Standard InChI: InChI=1S/C15H24O/c1-6-15(5)10-12-9-11(2)7-8-13(12)14(3,4)16-15/h6,9,12-13H,1,7-8,10H2,2-5H3/t12-,13+,15-/m0/s1
- IUPAC Standard InChIKey: NIGRJVWIKNICMW-GUTXKFCHSA-N
- 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:
- (3S,4aR,8aS)-1,1,3,6-Tetramethyl-3-vinyl-3,4,4a,7,8,8a-hexahydro-1H-isochromene
- (3S,4aS,8aR)-1,1,3,6-Tetramethyl-3-vinyl-3,4,4a,7,8,8a-hexahydro-1H-isochromene
- (3S,4aR,8aR)-1,1,3,6-Tetramethyl-3-vinyl-3,4,4a,7,8,8a-hexahydro-1H-isochromene
- Cabreuva oxide B
- Cabreuva oxide C
- Cabreuva oxide D
- Cabreuva oxide-VI
- 4a,7,8,8a-Tetrahydro-1,1,3,6-tetramethyl-3-vinyl isochromane, # 1
- 4a,7,8,8a-Tetrahydro-1,1,3,6-tetramethyl-3-vinyl isochromane, # 2
- Cabreuva oxide II
- Cabreuva oxide IV
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Gas Chromatography
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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
Normal alkane RI, non-polar column, temperature ramp
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | CP Sil 5 CB | 1437. | Weyerstahl, Marschall, et al., 1999 | N2, 5. K/min; Column length: 25. m; Phase thickness: 0.39 μm; Tstart: 60. C; Tend: 220. C |
Normal alkane RI, non-polar column, custom temperature program
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | CP Sil 5 CB | 1439. | Weyerstahl, Marschall, et al., 1997 | N2; Column length: 30. m; Column diameter: 0.25 mm; Program: not specified |
Normal alkane RI, polar column, temperature ramp
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | DB-Wax | 1687. | Weyerstahl, Marschall, et al., 1999 | N2, 5. K/min; Column length: 60. m; Phase thickness: 0.25 μm; Tstart: 60. C; Tend: 220. C |
References
Go To: Top, Gas Chromatography, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Weyerstahl, Marschall, et al., 1999
Weyerstahl, P.; Marschall, H.; Thefeld, K.; Rustaiyan, A.,
Constituents of the essential oil of Tanacetum (syn. Chrysanthemum) fruticulosum Ledeb. from Iran,
Flavour Fragr. J., 1999, 14, 2, 112-120, https://doi.org/10.1002/(SICI)1099-1026(199903/04)14:2<112::AID-FFJ786>3.0.CO;2-1
. [all data]
Weyerstahl, Marschall, et al., 1997
Weyerstahl, P.; Marschall, H.; Seelmann, I.; Rustaiyan, A.,
Constituents of the essential oil of Achillea eriophora DC,
Flavour Fragr. J., 1997, 12, 2, 71-78, https://doi.org/10.1002/(SICI)1099-1026(199703)12:2<71::AID-FFJ620>3.0.CO;2-E
. [all data]
Notes
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- Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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