.beta.-Oplopenone
- Formula: C15H24O
- Molecular weight: 220.3505
- IUPAC Standard InChI: InChI=1S/C15H24O/c1-9(2)12-6-5-10(3)13-7-8-14(11(4)16)15(12)13/h9,12-15H,3,5-8H2,1-2,4H3
- IUPAC Standard InChIKey: YKWVCZPTAAKDIY-UHFFFAOYSA-N
- CAS Registry Number: 28305-60-4
- 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: 1-((1S,3aR,7S,7aS)-7-Isopropyl-4-methyleneoctahydro-1H-inden-1-yl)ethan-1-one; Ethanone, 1-[(1S,3aR,7S,7aS)-octahydro-4-methylene-7-(1-methylethyl)-1H-inden-1-yl]-; Ethanone, 1-[octahydro-4-methylene-7-(1-methylethyl)-1H-inden-1-yl]-, [1S-(1α,3aβ,7α,7aα)]-; Ketone, 3aα,4,5,6,7,7aβ-hexahydro-7β-isopropyl-4-methylene-1β-indanyl methyl (8CI); Oplopenone; β-Oploplenone
- Information on this page:
- Other data available:
- Options:
Normal alkane RI, non-polar column, temperature ramp
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 | RTX-1 | HP-5 MS | Col-Elite 5MS | HP-1 | DB-5 |
| Column length (m) | 60. | 30. | 30. | 30. | 30. |
| Carrier gas | He | Helium | He | He | Hydrogen |
| Substrate | |||||
| Column diameter (mm) | 0.22 | 0.32 | 0.25 | 0.25 | 0.25 |
| Phase thickness (μm) | 0.25 | 0.25 | 0.25 | 0.25 | 0.25 |
| Tstart (C) | 60. | 60. | 30. | 60. | 50. |
| Tend (C) | 230. | 280. | 246. | 240. | 250. |
| Heat rate (K/min) | 2. | 4. | 3. | 2. | 4. |
| Initial hold (min) | 5. | ||||
| Final hold (min) | 35. | 20. | |||
| I | 1594. | 1607. | 1620. | 1592. | 1608. |
| Reference | Paolini, Tomi, et al., 2008 | Capetanos, Saroglou, et al., 2007 | Gudaityte and Venskutonis R.P., 2007 | Hachicha, Skanji, et al., 2007 | Pontes, de Olivera, et al., 2007 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
|---|---|---|---|---|---|
| Active phase | DB-5MS | DB-5 | DB-1 | SE-30 | DB-1 |
| Column length (m) | 30. | 30. | 50. | 30. | 50. |
| Carrier gas | He | He | N2 | He | N2 |
| Substrate | |||||
| Column diameter (mm) | 0.25 | 0.25 | 0.25 | 0.25 | |
| Phase thickness (μm) | 0.25 | 0.25 | 0.25 | 0.25 | |
| Tstart (C) | 60. | 60. | 95. | 90. | 95. |
| Tend (C) | 280. | 220. | 240. | 220. | 240. |
| Heat rate (K/min) | 3. | 4. | 4. | 7. | 4. |
| Initial hold (min) | 2. | ||||
| Final hold (min) | 30. | ||||
| I | 1575. | 1608. | 1607. | 1590. | 1597. |
| Reference | Maronigiu, Piras, et al., 2006 | Morteza-Semnani, Akbarzadeh, et al., 2006 | Pala-Paul J., Perez-Alonso M.J., et al., 2006 | Ahuja, Bakshi, et al., 2005 | Pala-Paul, Perez-Alonso, et al., 2005 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
|---|---|---|---|---|---|
| Active phase | HP-5MS | HP-5MS | DB-5 | DB-1 | HP-5 |
| Column length (m) | 30. | 30. | 30. | 50. | 25. |
| Carrier gas | He | He | He | H2 | |
| Substrate | |||||
| Column diameter (mm) | 0.2 | 0.25 | 0.32 | 0.22 | 0.32 |
| Phase thickness (μm) | 0.25 | 0.25 | 0.25 | 0.52 | |
| Tstart (C) | 60. | 60. | 60. | 70. | 40. |
| Tend (C) | 280. | 280. | 280. | 220. | 240. |
| Heat rate (K/min) | 3. | 3. | 3. | 4. | 4. |
| Initial hold (min) | |||||
| Final hold (min) | |||||
| I | 1608. | 1611. | 1573. | 1601. | 1606. |
| Reference | Petrakis, Roussis, et al., 2005 | Slavkovska, Couladis, et al., 2005 | Tzakou and Constantinidis, 2005 | Palá-Paúl, García-Jiménez, et al., 2004 | Simic, Sokovic, et al., 2004 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
|---|---|---|---|---|---|
| Active phase | DB-1 | DB-5 | DB-5 | DB-5MS | DB-1 |
| Column length (m) | 50. | 30. | 30. | 30. | 50. |
| Carrier gas | N2 | He | He | N2 | |
| 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 |
| Tstart (C) | 95. | 40. | 60. | 60. | 60. |
| Tend (C) | 240. | 260. | 280. | 280. | 240. |
| Heat rate (K/min) | 4. | 2. | 3. | 3. | 3. |
| Initial hold (min) | 5. | ||||
| Final hold (min) | 30. | ||||
| I | 1596. | 1589. | 1585. | 1594. | 1574. |
| Reference | Perez-Alonso, Velasco-Negueruela, et al., 2003 | Senatore and Bruno, 2003 | Caredda, Marongiu, et al., 2002 | Congiu, Falconieri, et al., 2002 | Velasco-Negueruela, Pérez-Alonso, et al., 2002 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary | Capillary | Capillary | Capillary |
|---|---|---|---|---|
| Active phase | DB-5MS | DB-5MS | DB-5 | CP Sil 5 CB |
| Column length (m) | 30. | 30. | 30. | 25. |
| Carrier gas | He | He | He | N2 |
| Substrate | ||||
| Column diameter (mm) | 0.25 | 0.25 | 0.25 | |
| Phase thickness (μm) | 0.25 | 0.25 | 0.25 | 0.39 |
| Tstart (C) | 60. | 60. | 60. | 60. |
| Tend (C) | 240. | 240. | 240. | 220. |
| Heat rate (K/min) | 3. | 3. | 3. | 5. |
| Initial hold (min) | ||||
| Final hold (min) | 30. | |||
| I | 1589. | 1596. | 1605. | 1588. |
| Reference | Cherchi, Deidda, et al., 2001 | Marongiu, Porcedda, et al., 2001 | Tellez, Canel, et al., 1999 | Weyerstahl, Marschall, et al., 1999 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
References
Go To: Top, Normal alkane RI, non-polar column, temperature ramp, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Paolini, Tomi, et al., 2008
Paolini, J.; Tomi, P.; Bernardini, A.-F.; Bradesi, P.; Casanova, J.; Kaloustian, J.,
Detailed analysis of the essential oil from Cistus albidus L. by combination of GC/RI, GC/MS and 13C-NMR spectroscopy,
N.Z. J. Agric. Res., 2008, 22, 14, 1270-1278. [all data]
Capetanos, Saroglou, et al., 2007
Capetanos, C.; Saroglou, V.; Marin, P.D.; Simic, A.; Skaltsa, H.D.,
Essential oil snalysis of two endemic Eringium species from Serbia,
J. Serb. Chem. Soc., 2007, 72, 10, 961-965, https://doi.org/10.2298/JSC0710961C
. [all data]
Gudaityte and Venskutonis R.P., 2007
Gudaityte, O.; Venskutonis R.P.,
Chemotypes of Achillea millefolium transferred from 14 different locations in Lithuania to the controlled environment,
Biochem. Syst. Ecol., 2007, 35, 9, 582-592, https://doi.org/10.1016/j.bse.2007.03.016
. [all data]
Hachicha, Skanji, et al., 2007
Hachicha, S.F.; Skanji, T.; Barrek, S.; Ghrabi, Z.G.; Zarrouk, H.,
Composition of the essential oil of Teucrium ramosissimum Desf. (Lamiaceae) from Tunisia,
Flavour Fragr. J., 2007, 22, 2, 101-104, https://doi.org/10.1002/ffj.1764
. [all data]
Pontes, de Olivera, et al., 2007
Pontes, W.J.T.; de Olivera, J.C.G.; da Camara, C.A.G.; Lopes, A.C.H.R.; Gondim Jr.; de Olivera, J.V.; Barros, R.; Schwartz, M.O.E.,
Chemical composition and acaridical activity of the leaf and fruit essential oils of Protium heptaphyllum (Aubl.) Marchand (Burseraceae),
Acta Amazonica, 2007, 37, 1, 103-110, https://doi.org/10.1590/S0044-59672007000100012
. [all data]
Maronigiu, Piras, et al., 2006
Maronigiu, B.; Piras, A.; Porcedda, S.; Tuveri, E.,
Extraction of Santalum album and Boswellia carterii Birdw. volatile oil by supercritical carbon dioxide: influence of some process parameters,
Flavour Fragr. J., 2006, 21, 4, 718-724, https://doi.org/10.1002/ffj.1718
. [all data]
Morteza-Semnani, Akbarzadeh, et al., 2006
Morteza-Semnani, K.; Akbarzadeh, M.; Changizi, S.,
Essential oils composition of Stachys byzantina, S. inflata, S. lavandulifolia and S. laxa from Iran,
Flavour Fragr. J., 2006, 21, 2, 300-303, https://doi.org/10.1002/ffj.1594
. [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]
Ahuja, Bakshi, et al., 2005
Ahuja, A.; Bakshi, S.K.; Sharma, S.K.; Thappa, R.K.; Agarwal, S.G.; Kichlu, S.K.; Paul, R.; Kaul, M.K.,
Production of volatile terpenes by proliferating shoots and micropropagated plants of Santolina chamaecyparissus L. (cotton lavender),
Flavour Fragr. J., 2005, 20, 4, 403-406, https://doi.org/10.1002/ffj.1440
. [all data]
Pala-Paul, Perez-Alonso, et al., 2005
Pala-Paul, J.; Perez-Alonso, M.J.; Velasco-Negueruela, A.; Vadare, J.; Villa, A.M.; Sanz, J.; Brophy, J.J.,
Essential oil composition of the different parts of Eryngium bourgatii Gouan from Spain,
J. Chromatogr. A, 2005, 1074, 1-2, 235-239, https://doi.org/10.1016/j.chroma.2005.03.036
. [all data]
Petrakis, Roussis, et al., 2005
Petrakis, P.V.; Roussis, V.; Papadimitriou, D.; Vagias, C.; Tsitsimpikou, C.,
The effect of terpenoid extracts from 15 pine species on the feeding behavioural sequence of the late instars of the pine processionary caterpillar Thaumetopoea pityocampa,
Behav. Processes, 2005, 69, 3, 303-322, https://doi.org/10.1016/j.beproc.2004.12.008
. [all data]
Slavkovska, Couladis, et al., 2005
Slavkovska, V.; Couladis, M.; Bojovic, S.; Tzakou, O.; Pavlovic, M.; Lakusic, B.; Jancic, R.,
Essential oil and its systematic significance in species of Micromeria Bentham from Serbia Montenegro,
Plant Systematics and Evolution, 2005, 255, 1-2, 1-15, https://doi.org/10.1007/s00606-005-0303-y
. [all data]
Tzakou and Constantinidis, 2005
Tzakou, O.; Constantinidis, T.,
Chemotaxonomic significance of volatile compounds in Thymus samius and its related species Thymus atticus and Thymus parnassicus,
Biochem. Syst. Ecol., 2005, 33, 11, 1131-1140, https://doi.org/10.1016/j.bse.2005.03.008
. [all data]
Palá-Paúl, García-Jiménez, et al., 2004
Palá-Paúl, J.; García-Jiménez, R.; Pérez-Alonso, M.J.; Velasco-Negueruela, A.; Sanz, J.,
Essential oil composition of the leaves and stems of Meum athamanticum Jacq., from Spain,
J. Chromatogr. A, 2004, 1036, 2, 245-247, https://doi.org/10.1016/j.chroma.2004.02.064
. [all data]
Simic, Sokovic, et al., 2004
Simic, A.; Sokovic, M.D.; Ristic, M.; Grujic-Jovanovic, S.; Vukojevic, J.; Marin, P.D.,
The chemical composition of some Lauraceae essential oils and their antifungal activities,
Phytother. Res., 2004, 18, 9, 713-717, https://doi.org/10.1002/ptr.1516
. [all data]
Perez-Alonso, Velasco-Negueruela, et al., 2003
Perez-Alonso, M.J.; Velasco-Negueruela, A.; Palá-Paúl, J.; Sanz, J.,
Variations in the essential oil composition of Artemisia pedemontana gathered in Spain: chemotype camphor-1,8-cineole and chemotype davanone,
Biochem. Syst. Ecol., 2003, 31, 1, 77-84, https://doi.org/10.1016/S0305-1978(02)00082-0
. [all data]
Senatore and Bruno, 2003
Senatore, F.; Bruno, M.,
Composition of the essential oil of Pallenis spinosa (L.) Cass. (Asteraceae),
Flavour Fragr. J., 2003, 18, 3, 195-197, https://doi.org/10.1002/ffj.1180
. [all data]
Caredda, Marongiu, et al., 2002
Caredda, A.; Marongiu, B.; Porcedda, S.; Soro, C.,
Supercritical carbon dioxide extraction and characterization of Laurus nobilis essential oil,
J. Agric. Food Chem., 2002, 50, 6, 1492-1496, https://doi.org/10.1021/jf0108563
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Congiu, Falconieri, et al., 2002
Congiu, R.; Falconieri, D.; Marongiu, B.; Piras, A.; Porcedda, S.,
Extraction and isolation of Pistacia lentiscus L. essential oil by supercritical CO2,
Flavour Fragr. J., 2002, 17, 4, 239-244, https://doi.org/10.1002/ffj.1095
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Velasco-Negueruela, Pérez-Alonso, et al., 2002
Velasco-Negueruela, A.; Pérez-Alonso, M.J.; Palá-Paúl, J.; Íñigo, A.; López, G.,
Leaf essential oils analysis of Juniperus navicularis Gandoger,
Botanica Complutensis, 2002, 26, 85-91. [all data]
Cherchi, Deidda, et al., 2001
Cherchi, G.; Deidda, D.; de Gioannis, B.; Marongiu, B.; Pompei, R.; Porcedda, S.,
Extraction of Santolina insularis essential oil by supercritical carbon dioxide: influence of some process parameters and biological activity,
Flavour Fragr. J., 2001, 16, 1, 35-43, https://doi.org/10.1002/1099-1026(200101/02)16:1<35::AID-FFJ942>3.0.CO;2-Y
. [all data]
Marongiu, Porcedda, et al., 2001
Marongiu, B.; Porcedda, S.; Porta, G.D.; Reverchon, E.,
Extraction and isolation of Salvia desoleana and Mentha spicata subsp. insularis essential oils by supercritical CO2,
Flavour Fragr. J., 2001, 16, 5, 384-388, https://doi.org/10.1002/ffj.1021
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Tellez, Canel, et al., 1999
Tellez, M.R.; Canel, C.; Rimando, A.M.; Duke, S.O.,
Differential accumulation of isoprenoids in glanded and glandless Artemisia annua L,
Phytochemistry, 1999, 52, 6, 1035-1040, https://doi.org/10.1016/S0031-9422(99)00308-8
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Weyerstahl, Marschall, et al., 1999
Weyerstahl, P.; Marschall, H.; Thefeld, K.; Rustaiyan, A.,
Constituents of the essential oil of Tanacetum (syn. Chrysanthemum) fruticulosum Ledeb. from Iran,
Flavour Fragr. J., 1999, 14, 2, 112-120, https://doi.org/10.1002/(SICI)1099-1026(199903/04)14:2<112::AID-FFJ786>3.0.CO;2-1
. [all data]
Notes
Go To: Top, Normal alkane RI, non-polar column, temperature ramp, References
- Symbols used in this document:
Tend Final temperature Tstart Initial temperature - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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