β-Bisabolenol
- Formula: C15H24O
- Molecular weight: 220.3505
- IUPAC Standard InChI: InChI=1S/C15H24O/c1-12(2)5-4-6-13(3)15-9-7-14(11-16)8-10-15/h5,7,15-16H,3-4,6,8-11H2,1-2H3
- IUPAC Standard InChIKey: AWXTUFPUJSQYGO-UHFFFAOYSA-N
- CAS Registry Number: 147126-90-7
- 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:
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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
Kovats' RI, non-polar column, temperature ramp
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | HP-1 | 1753. | Raharivelomanana, Cambon, et al., 1993 | 6. K/min, 240. C @ 10. min; Column length: 15. m; Column diameter: 0.32 mm; Tstart: 40. C |
Van Den Dool and Kratz RI, non-polar column, custom temperature program
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | DB-5 | 1785. | Andrade, Sampaio, et al., 2007 | 30. m/0.25 mm/0.25 μm, He; Program: 40C(2min) => 4C/min => 220C => 20C/min => 280C |
Normal alkane RI, non-polar column, temperature ramp
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | HP-5 MS | 1794. | Pripdeevech and Saansoomchai, 2013 | 30. m/0.25 mm/0.25 μm, Helium, 3. K/min; Tstart: 60. C; Tend: 230. C |
| Capillary | Optima-5 | 1791. | Al-Qudah, Muhaidat, et al., 2012 | 30. m/0.25 mm/0.25 μm, Helium, 60. C @ 1. min, 3. K/min; Tend: 246. C |
| Capillary | DB-5 | 1783. | Moreno, Lima, et al., 2007 | 30. m/0.25 mm/0.25 μm, Helium, 3. K/min; Tstart: 60. C; Tend: 300. C |
| Capillary | DB-5 | 1790. | Morteza-Semnani and Saeedi, 2005 | 30. m/0.25 mm/0.25 μm, He, 60. C @ 4. min, 4. K/min; Tend: 220. C |
Normal alkane RI, non-polar column, custom temperature program
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | SE-30 | 1764. | Vinogradov, 2004 | Program: not specified |
| Capillary | Polydimethyl siloxanes | 1764. | Zenkevich, 1997 | Program: not specified |
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.
Raharivelomanana, Cambon, et al., 1993
Raharivelomanana, P.; Cambon, A.; Azzaro, M.; Bianchini, J.-P.; Claude-Lafontaine, A.; George, G.,
Volatile Constituents of Neocallitropsis pancheri (Carriere) de Laubenfels Heartwood Extracts (Cupressaceae),
J. Essent. Oil Res., 1993, 5, 6, 587-595, https://doi.org/10.1080/10412905.1993.9698289
. [all data]
Andrade, Sampaio, et al., 2007
Andrade, M.S.; Sampaio, T.S.; Nogueira, P.C.L.; Ribeiro, A.S.; Bittrich, V.; Amaral, M.C.E.,
Volatile compounds of the leaves, flowers and fruits of Kielmeyera rugosa Choisy (Clusiaceae),
Flavour Fragr. J., 2007, 22, 1, 49-52, https://doi.org/10.1002/ffj.1751
. [all data]
Pripdeevech and Saansoomchai, 2013
Pripdeevech, P.; Saansoomchai, J.,
Antibacterial activity and chemical composition of essential oil and various extracts of Fagraea fragrans Roxb. flowers,
Chiang Mai J. Sci., 2013, 40, 2, 214-223. [all data]
Al-Qudah, Muhaidat, et al., 2012
Al-Qudah, M.A.; Muhaidat, R.; Trawenh, I.N.; Jaber, H.I.; Abu Zarga, M.H.; Abu Orabi, S.T.,
Volatile constituents of leaves and bulbs of Gynandriris Sisyrinchicum and their antimicrobial activities,
Jordan J. Chem., 2012, 7, 3, 287-295. [all data]
Moreno, Lima, et al., 2007
Moreno, P.R.H.; Lima, M.E.L.; Sobral, M.; Young, M.C.M.; Cordeiro, I.; Apel, M.A.A.; Limberger, R.P.; Henriques, A.T.,
Essential oil composition of fruit colour varieties of Eugenia brasiliensis Lam.,
Sci. Agr.; (Piracicaba Praz.), 2007, 64, 4, 428-432. [all data]
Morteza-Semnani and Saeedi, 2005
Morteza-Semnani, K.; Saeedi, M.,
The essential oil composition of Hypericum androsaemum L. leaves and flowers from Iran,
Flavour Fragr. J., 2005, 20, 3, 332-334, https://doi.org/10.1002/ffj.1432
. [all data]
Vinogradov, 2004
Vinogradov, B.A.,
Production, composition, properties and application of essential oils, 2004, retrieved from http://viness.narod.ru. [all data]
Zenkevich, 1997
Zenkevich, I.G.,
Analytical Parameters of Components of Essential Oils for their Chromatographic and Chromato-Spectral Identificaiton. Oxsigenated derivatives of Mono- and Sesquiterpene Hydrocarbons,
Rastit, Resursy (Rus.), 1997, 33, 1, 16-28. [all data]
Notes
Go To: Top, Gas Chromatography, References
- Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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