4,8-Methanoazulen-9-ol, decahydro-2,2,4,8-tetramethyl-, stereoisomer
- Formula: C15H26O
- Molecular weight: 222.3663
- IUPAC Standard InChI: InChI=1S/C15H26O/c1-13(2)8-10-11(9-13)15(4)7-5-6-14(10,3)12(15)16/h10-12,16H,5-9H2,1-4H3
- IUPAC Standard InChIKey: MJYUBUQHKCAJQR-UHFFFAOYSA-N
- CAS Registry Number: 4586-22-5
- 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: 4,8-Methanoazulen-9-ol, 1,2,3,3aα,4,5,6,7,8,8aα-decahydro-2,2,4β,8β-tetramethyl-; α-Caryophyllene alcohol; 11-Apollanol; α-Caryophyllenol
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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 |
|---|---|---|---|---|
| Active phase | HP-5 MS | SE-30 | SE-54 | Polydimethyl siloxanes |
| Column length (m) | 30. | 25. | ||
| Carrier gas | Helium | H2 | ||
| Substrate | ||||
| Column diameter (mm) | 0.25 | 0.25 | ||
| Phase thickness (μm) | 0.25 | |||
| Program | 40 0C (10 min) 3 oC/min -> 200 0C 2 0C/min -> 220 0C | not specified | 110C(2min) => 3C/min => 130C => 8.5C => 290C | not specified |
| I | 1569. | 1556. | 1554. | 1556. |
| Reference | Setzer, Stokes, et al., 2007 | Vinogradov, 2004 | Lima, Veiga, et al., 2003 | Zenkevich, 1997 |
| Comment | MSDC-RI | MSDC-RI | 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.
Setzer, Stokes, et al., 2007
Setzer, W.N.; Stokes, S.L.; Penton, A.F.; Takaku, S.; Haber, W.A.; Hansell, E.; Caffrey, C.R.; McKerrow, J.H.,
Cruzain inhibitory activity of leaf essential oils of neotropical Lauraceae and essential oil components,
Natural Product Communications, 2007, 2, 12, 1203-1210. [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]
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, Normal alkane RI, non-polar column, custom temperature program, References
- Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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