6R,7R-Bisabolone
- Formula: C15H24O
- Molecular weight: 220.3505
- IUPAC Standard InChI: InChI=1S/C15H24O/c1-11(2)6-5-7-13(4)14-9-8-12(3)10-15(14)16/h6,10,13-14H,5,7-9H2,1-4H3/t13-,14+/m1/s1
- IUPAC Standard InChIKey: KNOUERLLBMJGLF-KGLIPLIRSA-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. - Stereoisomers:
- Other names: 7-epi-Bisabol-1-one
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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
Van Den Dool and Kratz RI, non-polar column, temperature ramp
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | DB-5 | 1735. | Isidorov, Zenkevich, et al., 1998 | 30. m/0.25 mm/0.25 μm, 3. K/min; Tstart: 50. C; Tend: 250. C |
Normal alkane RI, non-polar column, temperature ramp
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | DB-5 | 1737. | Kobaisy, Tellez, et al., 2002 | 30. m/0.25 mm/0.25 μm, He, 3. K/min; Tstart: 60. C; Tend: 240. C |
| Capillary | DB-5MS | 1777. | Cherchi, Deidda, et al., 2001 | 30. m/0.25 mm/0.25 μm, He, 3. K/min; Tstart: 60. C; Tend: 240. C |
Normal alkane RI, polar column, temperature ramp
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | DB-Wax | 2306. | van Beek, Kleis, et al., 1989 | 60. m/0.25 mm/0.25 μm, H2, 4. K/min, 238. C @ 13. min; Tstart: 50. 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.
Isidorov, Zenkevich, et al., 1998
Isidorov, V.A.; Zenkevich, I.G.; Dubis, E.N.; Slowikowski, A.; Wojciuk, E.,
Group identification of essential oils components using partition coefficients in a hexane-acetonitrile system,
J. Chromatogr. A, 1998, 814, 1-2, 253-260, https://doi.org/10.1016/S0021-9673(98)00398-7
. [all data]
Kobaisy, Tellez, et al., 2002
Kobaisy, M.; Tellez, M.R.; Dayan, F.E.; Duke, S.O.,
Phytotoxicity and volatile constituents from leaves of Callicarpa japonica Thunb.,
Phytochemistry, 2002, 61, 1, 37-40, https://doi.org/10.1016/S0031-9422(02)00207-8
. [all data]
Cherchi, Deidda, et al., 2001
Cherchi, G.; Deidda, D.; de Gioannis, B.; Marongiu, B.; Pompei, R.; Porcedda, S.,
Extraction of Santolina insularis essential oil by supercritical carbon dioxide: influence of some process parameters and biological activity,
Flavour Fragr. J., 2001, 16, 1, 35-43, https://doi.org/10.1002/1099-1026(200101/02)16:1<35::AID-FFJ942>3.0.CO;2-Y
. [all data]
van Beek, Kleis, et al., 1989
van Beek, T.A.; Kleis, R.; Posthumus, M.A.; van Veldhuizen, A.,
Essential oil of Amyris balsamifera,
Phytochemistry, 1989, 28, 7, 1909-1911, https://doi.org/10.1016/S0031-9422(00)97885-3
. [all data]
Notes
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- Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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