((3S,3aR,6R,8aS)-7,7-Dimethyl-8-methyleneoctahydro-1H-3a,6-methanoazulen-3-yl)methanol
- Formula: C15H24O
- Molecular weight: 220.3505
- IUPAC Standard InChI: InChI=1S/C15H24O/c1-10-13-5-4-12(9-16)15(13)7-6-11(8-15)14(10,2)3/h11-13,16H,1,4-9H2,2-3H3
- IUPAC Standard InChIKey: OOYRHNIVDZZGQV-UHFFFAOYSA-N
- CAS Registry Number: 16223-63-5
- 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: Khusimol; Khusenol; Tricyclovetivenol; Zizanol
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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 | DB-5 | 1727. | Marongiu, Piras, et al., 2003 | 30. m/0.25 mm/0.25 μm, He, 3. K/min, 240. C @ 30. min; Tstart: 60. C |
Van Den Dool and Kratz RI, non-polar column, temperature ramp
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | DB-5 | 1742. | Adams, Habte, et al., 2004 | 30. m/0.26 mm/0.25 μm, He, 3. K/min; Tstart: 60. C; Tend: 246. C |
Van Den Dool and Kratz RI, polar column, temperature ramp
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | Supelcowax-10 | 2521. | Martinez, Rosa, et al., 2004 | 30. m/0.25 mm/0.25 μm, N2, 5. K/min; Tstart: 50. C; Tend: 200. C |
Normal alkane RI, non-polar column, temperature ramp
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | HP-5 | 1743. | Champagnat, Figueredo, et al., 2006 | 25. m/0.25 mm/0.25 μm, He, 50. C @ 5. min, 5. K/min; Tend: 300. C |
| Capillary | DB-1 | 1754. | Pala-Paul J., Perez-Alonso M.J., et al., 2006 | 50. m/0.25 mm/0.25 μm, N2, 4. K/min; Tstart: 95. C; Tend: 240. C |
| Capillary | HP-5MS | 1740. | Ghannadi, Aghazari, et al., 2003 | 30. m/0.25 mm/0.25 μm, He, 4. K/min; Tstart: 60. C; Tend: 275. C |
Normal alkane RI, non-polar column, custom temperature program
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | DB-5 | 1735. | Massardo, Senatore, et al., 2006 | 30. m/0.25 mm/0.25 μm, He; Program: 40C (5min) => 2C/min => 250C(15min) => 5C/min => 270C (10min) |
| Capillary | CP Sil 5 CB | 1726. | Weyerstahl, Marschall, et al., 2000 | Column length: 25. m; 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.
Marongiu, Piras, et al., 2003
Marongiu, B.; Piras, A.; Pani, F.; Porcedda, S.; Ballero, M.,
Extraction, separation and isolation of essential oils from natural matrices by supercritical CO2,
Flavour Fragr. J., 2003, 18, 6, 505-509, https://doi.org/10.1002/ffj.1258
. [all data]
Adams, Habte, et al., 2004
Adams, R.P.; Habte, M.; Park, S.; Dafforn, M.R.,
Preliminary comparison of vetiver root essential oils from cleansed (bacteria- and fungus-free) versus non-cleansed (normal) vetiver plants,
Biochem. Syst. Ecol., 2004, 32, 12, 1137-1144, https://doi.org/10.1016/j.bse.2004.03.013
. [all data]
Martinez, Rosa, et al., 2004
Martinez, J.; Rosa, P.T.V.; Menut, C.; Leydet, A.; Brat, P.; Pallet, D.; Meireles, M.A.A.,
Valorization of Brazilian vetiver (Vetiveria zizanioides (L.) Nash ex Small) oil,
J. Agric. Food Chem., 2004, 52, 21, 6578-6584, https://doi.org/10.1021/jf049182x
. [all data]
Champagnat, Figueredo, et al., 2006
Champagnat, P.; Figueredo, G.; Chalchat, J.-C.; Bessiere, J.-M.,
Essential oil composition of Vetiveria nigritana from Mali,
J. Essent. Oil Res., 2006, 18, 6, 647-649, https://doi.org/10.1080/10412905.2006.9699193
. [all data]
Pala-Paul J., Perez-Alonso M.J., et al., 2006
Pala-Paul J.; Perez-Alonso M.J.; Velasco-Negueruela A.; Ballesteros M.T.; Sanz J.,
Essential oil composition of Sideritis hirsuta L. from Guadalajara Province, Spain,
Flavour Fragr. J., 2006, 21, 3, 410-415, https://doi.org/10.1002/ffj.1727
. [all data]
Ghannadi, Aghazari, et al., 2003
Ghannadi, A.; Aghazari, F.; Mehrabani, M.; Mohagheghzadeh, A.; Mehregan, I.,
Quantity and composition of the SDE prepared essential oil of Nepeta macrosiphon Boiss,
Iran. J. Pharm. Res., 2003, 2, 103-105. [all data]
Massardo, Senatore, et al., 2006
Massardo, D.R.; Senatore, F.; Alifano, P.; del Giudice, L.; Pontieri, P.,
Vetiver oil production correlates with early root growth,
Biochem. Syst. Ecol., 2006, 34, 5, 376-382, https://doi.org/10.1016/j.bse.2005.10.016
. [all data]
Weyerstahl, Marschall, et al., 2000
Weyerstahl, P.; Marschall, H.; Splittgerber, U.; Wolf, D.; Surburg, H.,
Constituents of Haitian vetiver oil,
Flavour Fragr. J., 2000, 15, 6, 395-412, https://doi.org/10.1002/1099-1026(200011/12)15:6<395::AID-FFJ930>3.0.CO;2-9
. [all data]
Notes
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- Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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