1,7-di-epi-α-Cedrene
- 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/h7,11-13H,5-6,8-9H2,1-4H3/t11-,12+,13+,15-/m0/s1
- IUPAC Standard InChIKey: IRAQOCYXUMOFCW-JLNYLFASSA-N
- Chemical structure:
This structure is also available as a 2d Mol file - Stereoisomers:
- 1H-3a,7-Methanoazulene, 2,3,4,7,8,8a-hexahydro-3,6,8,8-tetramethyl-, [3R-(3α,3aβ,7β,8aα)]-
- Di-epi-α-cedrene
- 2-epi-α-Funebrene
- 1H-3a,7-Methanoazulene,2,3,4,7,8,8a -hexahydro-3,6,8,8-tetramethyl-
- 7-epi-α-Cedrene
- 1H,3a,7-Methanoazulene-2,3,4,7,8,8a-hexahydro-3,6,8,8-tetramethyl, [3Rα,3aβ,7β,8aα)
- 2-epi-α-Funebrene
- α-Funebrene
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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 | HP-5 | 1397. | Maridass, 2009 | 25. m/0.20 mm/0.33 μm, Helium, 3. K/min, 240. C @ 7. min; Tstart: 60. C |
Normal alkane RI, non-polar column, custom temperature program
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | HP-5 MS | 1399. | Payo, Colo, et al., 2011 | Program: not specified |
| Capillary | HP-5 MS | 1400. | Payo, Colo, et al., 2011 | Program: not specified |
| Capillary | DB-5 | 1391. | Pontes, Silva, et al., 2010 | 30. m/0.25 mm/0.25 μm, Hydrogen; Program: 35 0C (2 min) 4 0C/min -> 180 0C 20 0C/min -> 280 0C |
References
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Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Maridass, 2009
Maridass, M.,
Inter-generic relationships of Ocimum and Origanum based on GC-MS volatile oils data using software NTSPSpc version 2.0,
Ethnobotanical Leaflets, 2009, 13, 83-88. [all data]
Payo, Colo, et al., 2011
Payo, D.A.; Colo, J.; Calumpong, H.; de Clerck, O.,
Variability of non-polar secondary metabolites in the Red Alga Portieria,
Mar Drugs, 2011, 9, 11, 2438-2468, https://doi.org/10.3390/md9112438
. [all data]
Pontes, Silva, et al., 2010
Pontes, W.J.T.; Silva, J.M.O.; ds Camara, C.A.G.; Gondim-Junior, M.G.C.; Oliveira, J.V.,
Chemical composition and acaricidal activity of the essential oils from fruits and leaves of Protium bahianum Daly,
J. Essential Oil Res., 2010, 22, 3, 279-282, https://doi.org/10.1080/10412905.2010.9700324
. [all data]
Notes
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- Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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