(3S,3aR,3bR,4S,7R,7aR)-4-Isopropyl-3,7-dimethyloctahydro-1H-cyclopenta[1,3]cyclopropa[1,2]benzen-3-ol
- Formula: C15H26O
- Molecular weight: 222.3663
- IUPAC Standard InChI: InChI=1S/C15H26O/c1-9(2)11-6-5-10(3)15-8-7-14(4,16)13(15)12(11)15/h9-13,16H,5-8H2,1-4H3
- IUPAC Standard InChIKey: KONGRWVLXLWGDV-UHFFFAOYSA-N
- CAS Registry Number: 23445-02-5
- 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. - Species with the same structure:
- Stereoisomers:
- Other names: Cubebol
- 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 | Polydimethyl siloxane with 5 % Ph groups | 5 % Phenyl polydimethyl siloxane | Elite-5 MS | HP-5 | SLB-5 MS |
| Column length (m) | 30. | 30. | 30. | 30. | |
| Carrier gas | Helium | Helium | Helium | ||
| Substrate | |||||
| Column diameter (mm) | 0.25 | 0.25 | 0.32 | 0.25 | |
| Phase thickness (μm) | 0.25 | 0.25 | 0.25 | ||
| Program | 50 0C 4 0C/min -> 200 0C (5 min) 20 0C/min -> 280 0C | not specified | 60 0C (1 min) 1.5 0C/min -> 185 0C (1 min) 9 0C/min -> 275 0C (2 min) | not specified | not specified |
| I | 1515. | 1516. | 1517. | 1512. | 1515. |
| Reference | da Silva, de Souza, et al., 2012 | Chaverri, Diaz, et al., 2011 | Kapoor, Singh, et al., 2009 | Riahi, Pourbasheer, et al., 2009 | Lo Presti, Sciarrone, et al., 2008 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
|---|---|---|---|---|---|
| Active phase | Elite-1 | HP-5MS | DB-5 | Polydimethyl siloxane | DB-5 |
| Column length (m) | 30. | 30. | 50. | 30. | |
| Carrier gas | Helium | He | Helium | He | |
| Substrate | |||||
| Column diameter (mm) | 0.32 | 0.25 | 0.32 | 0.25 | |
| Phase thickness (μm) | 0.25 | 0.25 | 0.25 | 0.25 | |
| Program | not specified | 40C(10min) => 3C/min => 200C => 2C/min => 220C | 60 0C (1 min) 5 0C/min -> 160 0C 10 0C/min -> 250 0C | not specified | 35C => 4C/min => 180C => 10C/min => 250C |
| I | 1515. | 1515. | 1515. | 1514. | 1515. |
| Reference | Raj, Baby, et al., 2008 | Cole, Haber, et al., 2007 | Nivinsliene, Butkiene, et al., 2007 | Werka, Boehme, et al., 2007 | Santos, Nunes, et al., 2006 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
|---|---|---|---|---|---|
| Active phase | HP-5 MS | CP Sil 8 CB | DB-5 | CP Sil 5 CB | CP Sil 5 CB |
| Column length (m) | 30. | 50. | 30. | 25. | 25. |
| Carrier gas | Helium | He | He | He | N2 |
| Substrate | |||||
| Column diameter (mm) | 0.25 | 0.32 | 0.25 | 0.39 | |
| Phase thickness (μm) | 0.25 | 0.25 | 0.25 | 0.39 | |
| Program | 40 0C (10 min) 3 0C/min -> 200 0C 2 0C/min -> 220 0C | 50C(5min) => 2C/min => 90C => 15C/min => 240C(4min) | 35C => 4C/min => 180C => 10C/min => 250C | not specified | not specified |
| I | 1514. | 1514. | 1518. | 1514. | 1510. |
| Reference | Schmidt, Noletto, et al., 2006 | Butkienë, Nivinskienë, et al., 2005 | Cysne, Canuto, et al., 2005 | Weyerstahl, Marschall, et al., 1999 | 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 | 1513. |
| 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.
da Silva, de Souza, et al., 2012
da Silva, A.C.; de Souza, P.E.; Machado, J. daC.; da Silva, B.M.; Pinto, J.E.B.P.,
Effectiveness of essential oils in the treatment of Colletotrichum truncatum-infected soybean seeds,
Tropical Plant Patology, 2012, 37, 5, 305-313, https://doi.org/10.1590/S1982-56762012000500001
. [all data]
Chaverri, Diaz, et al., 2011
Chaverri, C.; Diaz, C.; Cicco, J.F.,
Chemical analysis of essential oils from Ocotea gomezii W.C. Burger and Ocotea morae Gomez-Laur. (Lauraceae) collected at Reserva biologica Alberto M. Brenes in Costa Rica and their cytotoxic activity on Tumor cell lines,
J. Braz. Chem. Soc., 2011, 22, 4, s1-s4, https://doi.org/10.1590/S0103-50532011000400018
. [all data]
Kapoor, Singh, et al., 2009
Kapoor, I.; Singh, B.; Singh, G.; De Heluani, C.S.; De Lampasona, M.P.; Catalan, C.A.N.,
Chemistry and in vitro antioxidant activity of volatile oil and oleoresins of black pepper (Piper nigrum),
J. Agric. Food Chem., 2009, 57, 12, 5358-5364, https://doi.org/10.1021/jf900642x
. [all data]
Riahi, Pourbasheer, et al., 2009
Riahi, S.; Pourbasheer, E.; Ganjali, M.R.; Norouzi, P.,
Investigation of different linear and non-linear chemometric methods for modeling of retention index of essential oil components: Concerns to support vector mashine,
J. Hazard. Mat., 2009, 166, 2-3, 853-859, https://doi.org/10.1016/j.jhazmat.2008.11.097
. [all data]
Lo Presti, Sciarrone, et al., 2008
Lo Presti, M.; Sciarrone, D.; Crupi, M.C.; Costa, R.; Ragusa, S.; Dugo, G.; Mondello, L.,
Evaliation of the volatile and chiral composition in Pistacia lentiscus L. essential oil,
Flavour Fragr. J., 2008, 23, 4, 249-257, https://doi.org/10.1002/ffj.1878
. [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]
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]
Nivinsliene, Butkiene, et al., 2007
Nivinsliene, O.; Butkiene, R.; Gudalevic, A.; Mockute, D.; Meskauskiene, V.; Grigaliunaite, B.,
Influence of urban environment on chemical composition of Tilia cordata essential oil,
Chemija, 2007, 18, 1, 44-49. [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]
Santos, Nunes, et al., 2006
Santos, R.P.; Nunes, E.P.; Nascimento, R.F.; Santiago, G.M.P.; Menezes, G.H.A.; Silveira, E.R.; Pessoa, O.D.L.,
Chemical Composition and Larvicidal Activity of the Essential Oils of Cordia leucomalloides and Cordia curassavica from the Northeast of Brazil,
J. Braz. Chem. Soc., 2006, 17, 5, 1027-1030, https://doi.org/10.1590/S0103-50532006000500030
. [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]
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]
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]
Weyerstahl, Marschall, et al., 1999
Weyerstahl, P.; Marschall, H.; Son, P.T.; Giang, P.M.,
Constituents of the flower essential oil of Aglaia odorata Lour. from Vietnam,
Flavour Fragr. J., 1999, 14, 4, 219-224, https://doi.org/10.1002/(SICI)1099-1026(199907/08)14:4<219::AID-FFJ815>3.0.CO;2-#
. [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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