Di-epi-1,10-cubenol
- Formula: C15H26O
- Molecular weight: 222.3663
- IUPAC Standard InChIKey: COGPRPSWSKLKTF-UHFFFAOYSA-N
- CAS Registry Number: 73365-77-2
- 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. - Species with the same structure:
- Stereoisomers:
- Other names: (1S,4S,4aS,8aR)-1-Isopropyl-4,7-dimethyl-1,3,4,5,6,8a-hexahydronaphthalen-4a(2H)-ol; 4a(2H)-Naphthalenol, 1,3,4,5,6,8a-hexahydro-4,7-dimethyl-1-(1-methylethyl)-, (1S,4S,4aS,8aR)-; 4a(2H)-Naphthalenol, 1,3,4,5,6,8a-hexahydro-4,7-dimethyl-1-(1-methylethyl)-, [1S-(1α,4α,4aα,8aα)]-; 1,10-Di-epi-Cubenol; 1-10-epi-Cubenol; Cubenol (1,10 di-epi); Cubenol (1,10 di-epi-); diepi-Cubenol
- 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 | DB-5 | DB-5 | CP Sil 8 CB | Elite-1 | DB-5 |
Column length (m) | 30. | 30. | 50. | 30. | 30. |
Carrier gas | Helium | Helium | Helium | Helium | Helium |
Substrate | |||||
Column diameter (mm) | 0.25 | 0.25 | 0.32 | 0.32 | 0.25 |
Phase thickness (μm) | 0.25 | 0.25 | 0.25 | 0.25 | |
Program | 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 | not specified | not specified | 80 0C (2 min) 3 0C/min -> 180 0C 10 0C/min -> 300 0C (10 min) |
I | 1608. | 1614. | 1619. | 1619. | 1621. |
Reference | Gazim, Rezende, et al., 2008 | Gazim, Rezende, et al., 2008 | Kupcinskiene, Stikliene, et al., 2008 | Raj, Baby, et al., 2008 | Santos, Costa, et al., 2008 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | DB-5 | HP-5MS | HP-5 MS | HP-5 MS | HP-5MS |
Column length (m) | 30. | 30. | 30. | 30. | |
Carrier gas | Helium | He | Helium | He | |
Substrate | |||||
Column diameter (mm) | 0.25 | 0.25 | 0.25 | 0.25 | |
Phase thickness (μm) | 0.25 | 0.25 | |||
Program | not specified | 40C(10min) => 3C/min => 200C => 2C/min => 220C | 40 0C (10 min) 3 0C/min -> 200 0C 2 0C/min -> 220 0C | not specified | 40C(10min) => 3C/min => 200C => 2C/min => 220C |
I | 1619. | 1612. | 1613. | 1612. | 1617. |
Reference | Santos, Costa, et al., 2008 | Cole, Haber, et al., 2007 | Moriarity, Bansal, et al., 2007 | Stokes, Cole, et al., 2007 | Takaku, Haber, et al., 2007 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | Polydimethyl siloxane | HP-5 MS | SE-52 | CP Sil 8 CB | DB-5 |
Column length (m) | 30. | 30. | 50. | 30. | |
Carrier gas | Helium | He | He | He | |
Substrate | |||||
Column diameter (mm) | 0.25 | 0.32 | 0.32 | 0.25 | |
Phase thickness (μm) | 0.25 | 0.15 | 0.25 | 0.25 | |
Program | not specified | 40 0C (10 min) 3 0C/min -> 200 0C 2 0C/min -> 220 0C | 45C => 1C/min => 100C => 5C/min => 250C (10min) | 50C(5min) => 2C/min => 90C => 15C/min => 240C(4min) | 35C => 4C/min => 180C => 10C/min => 250C |
I | 1619. | 1614. | 1619. | 1616. | 1612. |
Reference | Werka, Boehme, et al., 2007 | Schmidt, Noletto, et al., 2006 | Tognolini, Barocelli, et al., 2006 | Butkienë, Nivinskienë, et al., 2005 | de Menezes, Lemos, et al., 2005 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | CP Sil 8 CB | OV-1 | CP Sil 8 CB | DB-5 | CP Sil 5 CB |
Column length (m) | 50. | 15. | 50. | 25. | |
Carrier gas | He | He | He | N2 | |
Substrate | |||||
Column diameter (mm) | 0.32 | 0.317 | 0.32 | ||
Phase thickness (μm) | 0.25 | 0.25 | 0.39 | ||
Program | 50C(5min) => 2C/min => 90C => 15C/min => 240C(4min) | 50C(4min) => 4C/min => 90C => 10C/min => 300C(10min) | 60C(1min) => 5C/min => 160C => 10C/min => 250C(5min) | not specified | not specified |
I | 1616. | 1592. | 1614. | 1610. | 1614. |
Reference | Butkienë, Nivinskienë, et al., 2004 | El-Shazly and Hussein, 2004 | Mockute, Nivinskiene, et al., 2003 | Ferreira, Costantin, et al., 2001 | Weyerstahl, Marschall, et al., 1998 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary |
---|---|
Active phase | CP Sil 5 CB |
Column length (m) | 25. |
Carrier gas | N2 |
Substrate | |
Column diameter (mm) | |
Phase thickness (μm) | |
Program | not specified |
I | 1605. |
Reference | Weyerstahl, Marschall, et al., 1998, 2 |
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.
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]
Kupcinskiene, Stikliene, et al., 2008
Kupcinskiene, E.; Stikliene, A.; Judzentiene, A.,
The essential oil guatitative composition in the needles of Pinus sylvestris L. growing along industrial transects,
Environ. Pollution, 2008, 155, 3, 481-491, https://doi.org/10.1016/j.envpol.2008.02.001
. [all data]
Raj, Baby, et al., 2008
Raj, G.; Baby, S.; Dan, M.; Thaha, A.R.M.; Sethuraman, M.G.; George, V.,
Volatile constituents from the rhisomes of Curcuma haritha Mangaly and Sabu from Sauthern India,
Flavour Fragr. J., 2008, 23, 5, 348-352, https://doi.org/10.1002/ffj.1891
. [all data]
Santos, Costa, et al., 2008
Santos, P.O.; Costa, M. deJ.C.; Alves, J.A.B.; Nascimento, P.F.C.; de Melo, D.L.F.M.; Barbosa, A.M., Jr.; Trindade, R. de.C.; Blank, A.F.; Arrigoni-Blank, M.F.; Alves, P.B.; do Nascimento, M. da.P.F.,
Chemical composition and antimicrobial activity of the essential oil of Hyptis pectinata (L.) Poit.,
Quim. Nova., 2008, 31, 7, 1648-1652, https://doi.org/10.1590/S0100-40422008000700009
. [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]
Takaku, Haber, et al., 2007
Takaku, S.; Haber, W.A.; Setzer, W.N.,
Leaf essential oil composition of 10 species of Ocotea (Lauraceae) from Monteverde, Costa Rica,
Biochem. Syst. Ecol., 2007, 35, 8, 525-532, https://doi.org/10.1016/j.bse.2007.02.003
. [all data]
Werka, Boehme, et al., 2007
Werka, J.S.; Boehme, A.K.; Setzer, W.N.,
Biological activities of essential oils from Monteverde, Costa Rica,
Natural Product Communications, 2007, 2, 12, 1215-1219. [all data]
Schmidt, Noletto, et al., 2006
Schmidt, J.M.; Noletto, J.A.; Vogler, B.; Setzer, W.N.,
Abaco Bush Medicine: Chemical composition of the essential oils of four aromatic medicinal plants from Abaco Island, Bahamas,
J. Herbs, Spices Medicinal Plants, 2006, 12, 3, 43-65, https://doi.org/10.1300/J044v12n03_04
. [all data]
Tognolini, Barocelli, et al., 2006
Tognolini, M.; Barocelli, E.; Ballabeni, V.; Bruni, R.; Bianchi, A.; Chiavarini, M.; Impicciatore, M.,
Comparative screening of plant essential oils: Phenylpropanoid moiety as basic core for antiplatelet activity,
Life Sciences, 2006, 78, 13, 1419-1432, https://doi.org/10.1016/j.lfs.2005.07.020
. [all data]
Butkienë, Nivinskienë, et al., 2005
Butkienë, R.; Nivinskienë, O.; Mockutë, D.,
α-Pinene chemotype of leaf (needle) essential oils of Juniperus communis L. growing wild in Vilnius district,
Chemija, 2005, 16, 1, 53-60. [all data]
de Menezes, Lemos, et al., 2005
de Menezes, J.E.S.A.; Lemos, T.L.G.; Silveira, E.R.; Andrade-Neto, M.; Nascimento, R.F.; Pessoa, O.D.L.,
Volatile constituents of Cordia trichotoma Vell. from the northeast of Brazil,
Flavour Fragr. J., 2005, 20, 2, 149-151, https://doi.org/10.1002/ffj.1394
. [all data]
Butkienë, Nivinskienë, et al., 2004
Butkienë, R.; Nivinskienë, O.; Mockutë, D.,
Chemical composition of unripe and ripe berry essential oils of Juniperus communis L. growing wild in Vilnius district,
Chemija, 2004, 15, 4, 57-63. [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]
Mockute, Nivinskiene, et al., 2003
Mockute, D.; Nivinskiene, O.; Bernotiene, G.; Butkiene, R.,
The cis-thujone chemotype of Salvia officinalis L. essential oils,
Chemija, 2003, 14, 4, 216-220. [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]
Weyerstahl, Marschall, et al., 1998, 2
Weyerstahl, P.; Marschall, H.; Wolf, D.,
Constituents of commercial Brazilian cabore oil,
Flavour Fragr. J., 1998, 13, 2, 85-86, https://doi.org/10.1002/(SICI)1099-1026(199803/04)13:2<85::AID-FFJ697>3.0.CO;2-9
. [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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