Ledol
- Formula: C15H26O
- Molecular weight: 222.3663
- IUPAC Standard InChIKey: AYXPYQRXGNDJFU-XJMMWPIVSA-N
- CAS Registry Number: 577-27-5
- Chemical structure:
This structure is also available as a 2d Mol file - Stereoisomers:
- Other names: 1H-Cycloprop[e]azulen-4-ol, decahydro-1,1,4,7-tetramethyl-, [1ar-(1aα,4α,4aβ,7α,7aβ,7bα)]-; 1H-Cycloprop[e]azulen-4-ol, decahydro-1,1,4,7-tetramethyl-, (1ar,4R,4as,7R,7as,7bs)-; (+)-Ledol; d-Ledol; 1H-Cycloprop[e]azulen-4-ol, decahydro-1,1,4,7-tetramethyl-, [1ar-(1aα,4α,4aβ,7β,7aβ,7bα)]-; (1aS,4S,4aR,7S,7aR,7bR)-1,1,4,7-Tetramethyldecahydro-1H-cyclopropa[e]azulen-4-ol
- Permanent link for this species. Use this link for bookmarking this species for future reference.
- Information on this page:
- Other data available:
- Options:
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 | Capillary |
---|---|---|---|---|---|
Active phase | VF-5 | DB-5 | DB-1 | RTX-5 | RTX-5 |
Column length (m) | 30. | 30. | 30. | 30. | 30. |
Carrier gas | Helium | Helium | Helium | Nitrogen | Nitrogen |
Substrate | |||||
Column diameter (mm) | 0.25 | 0.20 | 0.25 | 0.25 | 0.25 |
Phase thickness (μm) | 0.25 | 0.32 | 0.25 | 0.25 | 0.25 |
Program | not specified | 60 0C (1 min) 3 0C/min -> 140 0C 50 0C/min -> 250 0C (3 min) | not specified | 60 0C 95 min) 110 0C 3 0C/min -> 200 0C 5 0C/min -> 220 0C 95 min) | not specified |
I | 1608. | 1565. | 1551. | 1572. | 1565. |
Reference | Shivashankar, Roy, et al., 2012 | Nezhadali and Parsa, 2010 | Xu, Tang, et al., 2010 | Leela, Vipin, et al., 2009 | Leela, Vipin, et al., 2009 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | HP-5 MS | DB-5 | DB-5 | DB-1 | DB-1 |
Column length (m) | 30. | 30. | 30. | 30. | 30. |
Carrier gas | Helium | Helium | Helium | He | H2 |
Substrate | |||||
Column diameter (mm) | 0.25 | 0.25 | 0.25 | 0.25 | 0.25 |
Phase thickness (μm) | 0.25 | 0.25 | 0.25 | 0.25 | 0.25 |
Program | 40 0C (5 min) 2 0C/min -> 270 0C -> 260 0C (20 min) | 35 0C 1 0C/min -> 60 0C 3 0C/min -> 170 0C 8 0C/min -> 200 0C 15 0C/min -> 280 0C (5 min) | not specified | 45C => 3C/min => 175C => 15C/min => 300C (10min) | 45 0C 3 0C/min -> 175 0C 15 0C/min -> 300 0C (10 min) |
I | 1565. | 1595. | 1565. | 1580. | 1580. |
Reference | Mancini, Arnold, et al., 2009 | Gazim, Rezende, et al., 2008 | Gazim, Rezende, et al., 2008 | Nogueira, Marcelo-Curto, et al., 2008 | Kamatou, Viljoen, et al., 2007 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | DB-1 | CP Sil 8 CB | HP-5MS | DB-5 | HP-5MS |
Column length (m) | 30. | 50. | 30. | 30. | 30. |
Carrier gas | He | He | He | He | |
Substrate | |||||
Column diameter (mm) | 0.25 | 0.32 | 0.25 | 0.25 | 0.25 |
Phase thickness (μm) | 0.25 | 0.25 | 0.25 | 0.25 | 0.25 |
Program | 45C => 3C/min => 175C => 15C/min => 300C(10min) | 60C(2min) => 5C/min => 160C(1min) => 10C/min => 250C (5min) | 40C(5min) => 2C/min => 250C (15min) => 10C/min => 270C | 40C(1min) => 9C/min => 130C => 2C/min => 230C | 40C(5min) => 3C/min => 90C => 10C/min => 280C |
I | 1580. | 1569. | 1565. | 1587. | 1588. |
Reference | Rodrigues, Antunes, et al., 2007 | Judzentiene and Buzelyte, 2006 | Senatore, Apostolides Arnold, et al., 2006 | Hamm, Bleton, et al., 2005 | Novak, Draxler, et al., 2005 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | OV-1 | DB-1 | HP-5 | SE-30 | SE-54 |
Column length (m) | 15. | 30. | 30. | 25. | |
Carrier gas | He | He | H2 | ||
Substrate | |||||
Column diameter (mm) | 0.317 | 0.25 | 0.25 | 0.25 | |
Phase thickness (μm) | 0.25 | 0.25 | 0.25 | ||
Program | 50C(4min) => 4C/min => 90C => 10C/min => 300C(10min) | 45C => 3C/min => 175C => 15C/min => 300C (10min) | 40C(5min) => 2C/min => 250C(15min) => 10C/min => 270C | not specified | 110C(2min) => 3C/min => 130C => 8.5C => 290C |
I | 1579. | 1580. | 1565. | 1582. | 1565. |
Reference | El-Shazly and Hussein, 2004 | Miguel, Simões, et al., 2004 | Senatore, Apostolides Arnold, et al., 2004 | Vinogradov, 2004 | Lima, Veiga, et al., 2003 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | CP-Sil 8CB-MS | DB-5 | DB-1 | CP Sil 5 CB | Polydimethyl siloxanes |
Column length (m) | 50. | 30. | 25. | ||
Carrier gas | He | ||||
Substrate | |||||
Column diameter (mm) | 0.32 | 0.25 | |||
Phase thickness (μm) | 0.25 | 0.39 | |||
Program | 60C(1min) => 3C/min => 70C => 15C/min => 170C(8min) => 5C/min => 250C | not specified | 45 0C 3 K/min -> 175 0C 15 K/min -> 300 0C (10 min) | not specified | not specified |
I | 1583. | 1551. | 1580. | 1593. | 1581. |
Reference | Mockute, Bernotiene, et al., 2003 | Ferreira, Costantin, et al., 2001 | Figueiredo, Miguel, et al., 2001 | Weyerstahl, Marschall, et al., 1998 | Zenkevich, 1997 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary |
---|---|
Active phase | DB-1 |
Column length (m) | 60. |
Carrier gas | |
Substrate | |
Column diameter (mm) | 0.32 |
Phase thickness (μm) | |
Program | not specified |
I | 1590. |
Reference | Binder and Flath, 1989 |
Comment | 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.
Shivashankar, Roy, et al., 2012
Shivashankar, S.; Roy, T.K.; Moorthy, P.N.R.,
Headspace solid phase micro extraction and GC/MS analysis of the volatile components in seed and cake of Azadirachta indica A. juss,
Chem. Bull. of Politechnika Univ. Timisoara, Romania, 2012, 57(71), 1, 1-6. [all data]
Nezhadali and Parsa, 2010
Nezhadali, A.; Parsa, M.,
Study of the volatile compounds in Artemisia Sagebrush from Iran using HS/SPME/GC/MS,
Int. J. Environ. Sci. Development, 2010, 1, 3, 287-289, https://doi.org/10.7763/IJESD.2010.V1.56
. [all data]
Xu, Tang, et al., 2010
Xu, X.; Tang, Z.; Liang, Y.,
Comparative analysis of plant essential oils by GC-MS coupled with integrated chemometric resolution methods,
Anal. Methods, 2010, 2, 4, 359-367, https://doi.org/10.1039/b9ay00213h
. [all data]
Leela, Vipin, et al., 2009
Leela, N.K.; Vipin, T.M.; Shafeekh, K.M.; Priyanka, V.; Rema, J.,
Chemical composition of essential oils from aerial parts of Cinnamomum malabatrum (Burman f.) Bercht Presl.,
Flavor Fragr. J., 2009, 24, 1, 13-16, https://doi.org/10.1002/ffj.1910
. [all data]
Mancini, Arnold, et al., 2009
Mancini, E.; Arnold, N.A.; De Martino, L.; De Feo, V.; Formisano, C.; Rigano, D.; Senatore, F.,
Chemical composition and phytotoxic effects of essential oils of Salvia hierosolymitana Boiss. and Salvia multicaulis Vahl. var. simplicifolia Boiss. growing wild in Lebanon,
Molecules, 2009, 14, 11, 4725-4736, https://doi.org/10.3390/molecules14114725
. [all data]
Gazim, Rezende, et al., 2008
Gazim, Z.C.; Rezende, C.M.; Fraga, S.R.; Filho, B.P.D.; Cortez, D.A.G.,
Analysis of the essential oils from Calendula officinalis growing in Brazil using three different exteraction procedures,
Brazilian J. Pharmaceutical Sci., 2008, 44, 3, 391-395. [all data]
Nogueira, Marcelo-Curto, et al., 2008
Nogueira, T.; Marcelo-Curto, M.J.; Cristina Figueiredo, A.; Barroso, J.G.; Pedro, L.G.; Rubiolo, P.; Bicchi, C.,
Chemotaxonomy of Hypericum genus from Portugal: Geographical distribution and essential oils composition of Hypericum perfoliatum, Hypericum humifusum, Hypericum linarifolium and Hypericum pulchrum,
Biochem. Syst. Ecol., 2008, 36, 1, 40-50, https://doi.org/10.1016/j.bse.2007.07.004
. [all data]
Kamatou, Viljoen, et al., 2007
Kamatou, G.P.P.; Viljoen, A.M.; Figueiredo, A.C.; Tilney, P.M.; Van Zyl, R.L.; Barroso, J.G.; Pedro, L.G.; Van Vuuren, S.F.,
Trichomes, essential oil composition and biological activities of Salvia albanicus Benth. and S. dolomitica Codd, two species from the Cape region of Soith Africa,
South African J. Botany, 2007, 73, 1, 102-108, https://doi.org/10.1016/j.sajb.2006.08.001
. [all data]
Rodrigues, Antunes, et al., 2007
Rodrigues, F.S.L.M.; Antunes, L.C.S.; Figueiredo, A.C.; Costa, M.M.; Pereira, J.D.S.; Colaço, R.D.R.; Miranda, H.H.S.; Barroso, J.G.; Pedro, L.G.; Scheffer, J.J.C.,
Composition of the leaf, flower and fruit volatile oils of Pittosporum tobira (Thunb.) W. T. Aiton grown in three locations in Portugal,
Flavour Fragr. J., 2007, 22, 4, 311-316, https://doi.org/10.1002/ffj.1798
. [all data]
Judzentiene and Buzelyte, 2006
Judzentiene, A.; Buzelyte, J.,
Chemical composition of essential oils of Artemisia vulgaris L. (mugwort) from North Lithuania,
Chemija, 2006, 17, 1, 12-15. [all data]
Senatore, Apostolides Arnold, et al., 2006
Senatore, F.; Apostolides Arnold, N.; Piozzi, F.; Formisano, C.,
Chemical composition of the essential oil of Salvia microstegia Boiss. et Balansa growing wild in Lebanon,
J. Chromatogr. A, 2006, 1108, 2, 276-278, https://doi.org/10.1016/j.chroma.2006.01.066
. [all data]
Hamm, Bleton, et al., 2005
Hamm, S.; Bleton, J.; Connan, J.; Tchapla, A.,
A chemical investigation by headspace SPME and GC-MS of volatile and semi-volatile terpenes in various olibanum samples,
Phytochemistry, 2005, 66, 12, 1499-1514, https://doi.org/10.1016/j.phytochem.2005.04.025
. [all data]
Novak, Draxler, et al., 2005
Novak, J.; Draxler, L.; Göhler, I.; Franz, C.M.,
Essential oil composition of Vitex agnus-castus - comparison of accessions and different plant organs,
Flavour Fragr. J., 2005, 20, 2, 186-192, https://doi.org/10.1002/ffj.1404
. [all data]
El-Shazly and Hussein, 2004
El-Shazly, A.M.; Hussein, K.T.,
Chemical analysis and biological activities of the essential oil of Teucrium leucocladum Boiss. (Lamiaceae),
Biochem. Syst. Ecol., 2004, 32, 7, 665-674, https://doi.org/10.1016/j.bse.2003.12.009
. [all data]
Miguel, Simões, et al., 2004
Miguel, G.; Simões, M.; Figueiredo, A.C.; Barroso, J.G.; Pedro, L.G.; Carvalho, L.,
Composition and antioxidant activities of the essential oils of Thymus caespititius, Thymus camphoratus and Thymus mastichina,
Food Chem., 2004, 86, 2, 183-188, https://doi.org/10.1016/j.foodchem.2003.08.031
. [all data]
Senatore, Apostolides Arnold, et al., 2004
Senatore, F.; Apostolides Arnold, N.; Piozzi, F.,
Chemical composition of the essential oil of Salvia multicaulis Vahl. var. simplicifolia Boiss. growing wild in Lebanon,
J. Chromatogr. A, 2004, 1052, 1-2, 237-240, https://doi.org/10.1016/j.chroma.2004.08.095
. [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]
Mockute, Bernotiene, et al., 2003
Mockute, D.; Bernotiene, G.; Judzentiene, A.,
Volatile compounds of the aerial parts of wild St. John's wort (Hypericum perforatum L.) plants,
Chemija, 2003, 14, 3, 108-111. [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]
Figueiredo, Miguel, et al., 2001
Figueiredo, A.C.; Miguel, M.G.; Duarte, A.M.F.; Barroso, J.G.; Pedro, L.G.,
Essential oil composition of Thymus lotocephallus G. López R. Morales, collected during flowering and vegetative phases,
Flavour Fragr. J., 2001, 16, 6, 417-421, https://doi.org/10.1002/ffj.1028
. [all data]
Weyerstahl, Marschall, et al., 1998
Weyerstahl, P.; Marschall, H.; Weirauch, M.; Thefeld, K.; Surburg, H.,
Constituents of commercial Labdanum oil,
Flavour Fragr. J., 1998, 13, 5, 295-318, https://doi.org/10.1002/(SICI)1099-1026(1998090)13:5<295::AID-FFJ751>3.0.CO;2-I
. [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]
Binder and Flath, 1989
Binder, R.G.; Flath, R.A.,
Volatile components of pineapple guava,
J. Agric. Food Chem., 1989, 37, 3, 734-736, https://doi.org/10.1021/jf00087a034
. [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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