Valerianol
- Formula: C15H26O
- Molecular weight: 222.3663
- IUPAC Standard InChI: InChI=1S/C15H26O/c1-11-6-5-7-12-8-9-13(14(2,3)16)10-15(11,12)4/h7,11,13,16H,5-6,8-10H2,1-4H3/t11-,13-,15+/m0/s1
- IUPAC Standard InChIKey: MQWIFDHBNGIVPO-CORIIIEPSA-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: valeranol
- Permanent link for this species. Use this link for bookmarking this species for future reference.
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Gas Chromatography
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
Kovats' RI, non-polar column, temperature ramp
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | DB-5 | 1633. | Marongiu, Piras, et al., 2003 | 30. m/0.25 mm/0.25 μm, He, 3. K/min, 240. C @ 30. min; Tstart: 60. C |
| Capillary | HP-5MS | 1672. | Roussis, Tsoukatou, et al., 2000 | 30. m/0.25 mm/0.25 μm, He, 3. K/min; Tstart: 60. C; Tend: 280. C |
Van Den Dool and Kratz RI, non-polar column, temperature ramp
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | DB-5 | 1655. | Maccioni, Baldini, et al., 2007 | 30. m/0.25 mm/0.25 μm, He, 3. K/min; Tstart: 60. C; Tend: 240. C |
| Capillary | RTX-1 | 1635. | Cozzani, Muselli, et al., 2005 | 60. m/0.22 mm/0.25 μm, 2. K/min, 220. C @ 20. min; Tstart: 60. C |
| Capillary | HP-1 | 1617. | Fernández-Ocaña, Gómez-Rodríguez, et al., 2004 | 25. m/0.32 mm/0.17 μm, He, 3. K/min; Tstart: 50. C; Tend: 200. C |
| Capillary | RTX-1 | 1638. | Cavalli, Tomi, et al., 2003 | 60. m/0.22 mm/0.25 μm, He, 2. K/min, 230. C @ 45. min; Tstart: 60. C |
Van Den Dool and Kratz RI, polar column, temperature ramp
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | RTX-Wax | 2208. | Cozzani, Muselli, et al., 2005 | 60. m/0.22 mm/0.25 μm, 2. K/min, 220. C @ 20. min; Tstart: 60. C |
| Capillary | RTX-Wax | 2205. | Cavalli, Tomi, et al., 2003 | 60. m/0.22 mm/0.25 μm, He, 2. K/min, 230. C @ 45. min; Tstart: 60. C |
Normal alkane RI, non-polar column, temperature ramp
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | SPB-5 | 1652. | Raal, Orav, et al., 2007 | 30. m/0.25 mm/0.25 μm, He, 2. K/min; Tstart: 50. C; Tend: 250. C |
| Capillary | HP-5MS | 1648.2 | Zizovic, Stamenic, et al., 2007 | 30. m/0.25 mm/0.25 μm, He, 4. K/min; Tstart: 40. C; Tend: 260. C |
| Capillary | HP-5 | 1660. | Potzernheim, Bizzo, et al., 2006 | 25. m/0.32 mm/0.25 μm, H2, 3. K/min; Tstart: 60. C; Tend: 240. C |
| Capillary | BPX5 | 1650. | Dickschat, Bode, et al., 2005 | 25. m/0.22 mm/0.25 μm, Helium, 50. C @ 5. min, 5. K/min; Tend: 320. C |
| Capillary | HP-5MS | 1661. | Melkani, Dev, et al., 2005 | 30. m/0.25 mm/0.25 μm, 50. C @ 10. min, 3. K/min, 250. C @ 5. min |
| Capillary | CP Sil 5 CB | 1647. | Ogunwande, Olawore, et al., 2005 | 25. m/0.25 mm/0.15 μm, 3. K/min; Tstart: 50. C; Tend: 230. C |
| Capillary | HP-5MS | 1668. | Mehrabani, Asadipour, et al., 2004 | 30. m/0.25 mm/0.25 μm, He, 4. K/min; Tstart: 60. C; Tend: 275. C |
| Capillary | HP-5 | 1667. | Sajjadi and Mehregan, 2003 | 30. m/0.25 mm/0.25 μm, He, 4. K/min; Tstart: 60. C; Tend: 280. C |
| Capillary | CP Sil 5 CB | 1625. | Bos, Woerdenbag, et al., 1997 | 25. m/0.25 mm/0.25 μm, He, 6. K/min; Tstart: 60. C; Tend: 300. C |
Normal alkane RI, non-polar column, custom temperature program
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | DB-5MS | 1658. | Barra A., Coroneo V., et al., 2007 | 30. m/0.25 mm/0.25 μm, He; Program: 60C => 1C/min => 65C => 3C/min => 120C => 5C/min => 180C(5min) => 5C/min => 250C (20min) |
| Capillary | HP-5MS | 1656. | Cole, Haber, et al., 2007 | 30. m/0.25 mm/0.25 μm, He; Program: 40C(10min) => 3C/min => 200C => 2C/min => 220C |
| Capillary | HP-5 MS | 1658. | Moriarity, Bansal, et al., 2007 | 30. m/0.25 mm/0.25 μm, Helium; Program: 40 0C (10 min) 3 0C/min -> 200 0C 2 0C/min -> 220 0C |
| Capillary | HP-5 MS | 1653. | Stokes, Cole, et al., 2007 | Program: not specified |
| Capillary | DB-5 | 1651. | Cysne, Canuto, et al., 2005 | 30. m/0.25 mm/0.25 μm, He; Program: 35C => 4C/min => 180C => 10C/min => 250C |
| Capillary | BPX5 | 1655. | Dickschat, Bode, et al., 2005 | 25. m/0.22 mm/0.25 μm, Helium; Program: not specified |
| Capillary | SE-30 | 1644. | Vinogradov, 2004 | Program: not specified |
| Capillary | CP Sil 5 CB | 1640. | Weyerstahl, Marschall, et al., 2000 | N2; Column length: 25. m; Phase thickness: 0.39 μm; Program: not specified |
| Capillary | CP Sil 5 CB | 1638. | Weyerstahl, Marschall, et al., 2000, 2 | Column length: 25. m; Program: not specified |
Normal alkane RI, polar column, temperature ramp
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | DB-Wax | 2231. | 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 |
Normal alkane RI, polar column, custom temperature program
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | Innowax FSC | 2215. | Iscan, Kirimer, et al., 2006 | 60. m/0.25 mm/0.25 μm, N2; Program: 60C(10min) => 4C/min => 220C(10min) => 1C/min => 240C |
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]
Roussis, Tsoukatou, et al., 2000
Roussis, V.; Tsoukatou, M.; Petrakis, P.V.; Chinou, I.; Skoula, M.; Harborne, J.B.,
Volatile constituents of four Helichrysum species growing in Greece,
Biochem. Syst. Ecol., 2000, 28, 2, 163-175, https://doi.org/10.1016/S0305-1978(99)00046-0
. [all data]
Maccioni, Baldini, et al., 2007
Maccioni, S.; Baldini, R.; Luigi Cioni, P.; Tebano, M.; Flamini, G.,
In vivo volatiles emission and essential oils from different organs and pollen of Cistus albidus from Caprione (Eastern Liguria, Italy),
Flavour Fragr. J., 2007, 22, 1, 61-65, https://doi.org/10.1002/ffj.1759
. [all data]
Cozzani, Muselli, et al., 2005
Cozzani, S.; Muselli, A.; Desjobert, J.-M.; Bernardini, A.-F.; Tomi, F.; Casanova, J.,
Chemical composition of essential oil of Teucrium polium subsp. capitatum (L.) from Corsica,
Flavour Fragr. J., 2005, 20, 4, 436-441, https://doi.org/10.1002/ffj.1463
. [all data]
Fernández-Ocaña, Gómez-Rodríguez, et al., 2004
Fernández-Ocaña, A.M.; Gómez-Rodríguez, M.V.; Velasco-Negueruela, A.; Camacho-Simarro, A.M.; Fernández-López, C.; Altarejos, J.,
In vivo antifungal activity of the essential oil of Bupleurum gibraltarium against plasmopara halstedii in sunflower,
J. Agric. Food Chem., 2004, 52, 21, 6414-6417, https://doi.org/10.1021/jf040219n
. [all data]
Cavalli, Tomi, et al., 2003
Cavalli, J.-F.; Tomi, F.; Bernardini, A.-F.; Casanova, J.,
Composition and chemical variability of the bark oil of Cedrelopsis grevei H. Baillon from Madagascar,
Flavour Fragr. J., 2003, 18, 6, 532-538, https://doi.org/10.1002/ffj.1263
. [all data]
Raal, Orav, et al., 2007
Raal, A.; Orav, A.; Arak, E.; Kailas, T.; Müürisepp, M.,
Variation in the composition of the essential oil of Valeriana officinalis L. roots from Estonia,
Proc. Est. Acad. Sci. Chem., 2007, 56, 2, 67-74. [all data]
Zizovic, Stamenic, et al., 2007
Zizovic, I.; Stamenic, M.; Ivanovic, J.; Orlovic, A.; Ristic, M.; Djordjevic, S.; Petrovic, S.D.; Skala, D.,
Supercritical carbon dioxide extraction of sesquiterpenes from valerian root,
J. Supercrit. Fluids, 2007, 43, 2, 249-258, https://doi.org/10.1016/j.supflu.2007.05.007
. [all data]
Potzernheim, Bizzo, et al., 2006
Potzernheim, M.C.L.; Bizzo, H.R.; Vieira, R.F.,
Analysis of the essential oil of three species of Piper collected in the region of the Distrito Federal (Cerrado - Brazilian Savannah) and comparison with oils of plants from region of Paraty, State of Rio de Janeiro (Atlantic Rain Forest),
Brazilian Journal of Pharmacognosy, 2006, 16, 2, 246-251. [all data]
Dickschat, Bode, et al., 2005
Dickschat, J.S.; Bode, H.B.; Wenzel, S.C.; Muller, R.; Schulz, S.,
Biosinthesis and Identification of Volatiles Released by the Myxobacterium Stigmatella aurantiaca,
ChemBioChem, 2005, 6, 11, 2023-2033, https://doi.org/10.1002/cbic.200500174
. [all data]
Melkani, Dev, et al., 2005
Melkani, A.B.; Dev, V.; Beauchamp, P.S.; Negi, A.; Mehta, S.P.S.; Melkani, K.B.,
Constituents of the essential oil of a new chemotype of Elsholtzia strobilifera Benth.,
Biochem. Syst. Ecol., 2005, 33, 4, 419-425, https://doi.org/10.1016/j.bse.2004.10.009
. [all data]
Ogunwande, Olawore, et al., 2005
Ogunwande, I.A.; Olawore, N.O.; Adeleke, K.A.; Ekundayo, O.,
Volatile constituents from the leaves of Eucalyptus cloeziana F. Muell and E. propinqua Deane Maiden from Nigeria,
Flavour Fragr. J., 2005, 20, 6, 637-639, https://doi.org/10.1002/ffj.1516
. [all data]
Mehrabani, Asadipour, et al., 2004
Mehrabani, M.; Asadipour, A.; Amoli, S.S.,
Chemical constituents of the essential oil of NEPETA DEPAUPERATA BENTH. from Iran,
DARu: Journal of Faculty of Pharmacy, 2004, 12, 98-100. [all data]
Sajjadi and Mehregan, 2003
Sajjadi, S.E.; Mehregan, I.,
Composition of the essential oil of Stachys Iaxa Boiss. Buhse,
Iran. J. Pharm. Res., 2003, 57-58. [all data]
Bos, Woerdenbag, et al., 1997
Bos, R.; Woerdenbag, H.J.; Hendriks, H.; Scheffer, J.J.C.,
Composition of the essential oils from underground parts of Valeriana officinalis L. s.l. and several closely related taxa,
Flavour Fragr. J., 1997, 12, 5, 359-370, https://doi.org/10.1002/(SICI)1099-1026(199709/10)12:5<359::AID-FFJ660>3.0.CO;2-G
. [all data]
Barra A., Coroneo V., et al., 2007
Barra A.; Coroneo V.; Dessi S.; Cabras P.; Angioni A.,
Characterization of the volatile constituents in the essential oil of Pistacia lentiscus L. from different origins and its antifungal and antioxidant activity,
J. Agric. Food Chem., 2007, 55, 17, 7093-7098, https://doi.org/10.1021/jf071129w
. [all data]
Cole, Haber, et al., 2007
Cole, R.A.; Haber, W.A.; Setzer, W.N.,
Chemical composition of essential oils of seven species of Eugenia from Monteverde, Costa Rica,
Biochem. Syst. Ecol., 2007, 35, 12, 877-886, https://doi.org/10.1016/j.bse.2007.06.013
. [all data]
Moriarity, Bansal, et al., 2007
Moriarity, D.M.; Bansal, A.; Cole, R.A.; Takaku, S.; Haber, W.A.; Setzer, W.N.,
Selective cytotoxic activities of leaf essential oils from Monteverde Costa Rica,
Natural Product Communications, 2007, 2, 12, 1263-1268. [all data]
Stokes, Cole, et al., 2007
Stokes, S.L.; Cole, R.A.; Rangelova, M.P.; Haber, W.A.; Setzer, W.N.,
Cruzain inhibitory activity of the leaf essential oil from an undescribed species of Eugenia from Monteverde, Costa Rica,
Natural Product Communications, 2007, 2, 12, 1211-1213. [all data]
Cysne, Canuto, et al., 2005
Cysne, J.B.; Canuto, K.M.; Pessoa, O.D.L.; Nunes, E.P.; Silveira, E.R.,
Leaf essential oils of four Piper species from the State of Ceará - Northeast of Brazil,
J. Braz. Chem. Soc., 2005, 16, 6B, 1378-1381, https://doi.org/10.1590/S0103-50532005000800012
. [all data]
Vinogradov, 2004
Vinogradov, B.A.,
Production, composition, properties and application of essential oils, 2004, retrieved from http://viness.narod.ru. [all data]
Weyerstahl, Marschall, et al., 2000
Weyerstahl, P.; Marschall, H.; Splittgerber, U. Wolf,
Analysis of the polar fraction of Haitian vetiver oil,
Flavour Fragr. J., 2000, 15, 3, 153-173, https://doi.org/10.1002/1099-1026(200005/06)15:3<153::AID-FFJ885>3.0.CO;2-5
. [all data]
Weyerstahl, Marschall, et al., 2000, 2
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]
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]
Iscan, Kirimer, et al., 2006
Iscan, G.; Kirimer, N.; Kurkcuoglu, M.; Arabaci, T.; Kupeli, E.; Baser, K.H.C.,
Biological Activity and Composition of the Essential Oils of Achillea schischkinii Sosn. and Achillea aleppica DC. subsp. aleppica,
J. Agric. Food Chem., 2006, 54, 1, 170-173, https://doi.org/10.1021/jf051644z
. [all data]
Notes
Go To: Top, Gas Chromatography, References
- Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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