Isospathulenol
- Formula: C15H24O
- Molecular weight: 220.3505
- IUPAC Standard InChI: InChI=1S/C15H24O/c1-9-5-6-11-13(14(11,2)3)12-10(9)7-8-15(12,4)16/h11-13,16H,5-8H2,1-4H3
- IUPAC Standard InChIKey: FPRYGNYXOFHMLF-UHFFFAOYSA-N
- CAS Registry Number: 88395-46-4
- Chemical structure:
This structure is also available as a 2d Mol file - Other names: (1aR,7S,7aS,7bR)-1,1,4,7-Tetramethyl-1a,2,3,5,6,7,7a,7b-octahydro-1H-cyclopropa[e]azulen-7-ol; 1H-Cycloprop[e]azulen-7-ol, 1a,2,3,5,6,7,7a,7b-octahydro-1,1,4,7-tetramethyl-, (1aR,7S,7aS,7bR)-; 1H-Cycloprop[e]azulen-7-ol, 1a,2,3,5,6,7,7a,7b-octahydro-1,1,4,7-tetramethyl-, [1aR-(1aα,7β,7aβ,7bα)]-; (+)-Isospathulenol
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Normal alkane RI, non-polar column, custom temperature program
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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
| Column type | Capillary | Capillary | Capillary |
|---|---|---|---|
| Active phase | HP-5 MS | DB-5 | CP Sil 5 CB |
| Column length (m) | 30. | 25. | |
| Carrier gas | Helium | N2 | |
| Substrate | |||
| Column diameter (mm) | 0.25 | ||
| Phase thickness (μm) | 0.39 | ||
| Program | 40 0C (10 min) 3 oC/min -> 200 0C 2 0C/min -> 220 0C | not specified | not specified |
| I | 1636. | 1621. | 1628. |
| Reference | Setzer, Stokes, et al., 2007 | Ferreira, Costantin, et al., 2001 | Weyerstahl, Marschall, et al., 1998 |
| Comment | 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]
Ferreira, Costantin, et al., 2001
Ferreira, M.J.P.; Costantin, M.B.; Sartorelli, P.; Rodrigues, G.V.; Limberger, R.; Henriques, A.T.; Kato, M.J.; Emerenciano, V.P.,
Computer-aided method for identification of components in essential oils by 13C NMR spectroscopy,
Anal. Chim. Acta., 2001, 447, 1-2, 125-134, https://doi.org/10.1016/S0003-2670(01)01204-1
. [all data]
Weyerstahl, Marschall, et al., 1998
Weyerstahl, P.; Marschall, H.; Thefeld, K.; Subba, G.C.,
Constituents of the essential oil from the rhizomes of Hedychium gardnerianum Roscoe,
Flavour Fragr. J., 1998, 13, 6, 377-388, https://doi.org/10.1002/(SICI)1099-1026(199811/12)13:6<377::AID-FFJ755>3.0.CO;2-F
. [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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