.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:
Van Den Dool and Kratz 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 | BP-1 | RTX-1 | HP-5MS | SE-54 | HP-5MS |
| Column length (m) | 50. | 60. | 30. | 50. | 30. |
| Carrier gas | He | He | He | H2 | He |
| Substrate | |||||
| Column diameter (mm) | 0.22 | 0.22 | 0.25 | 0.25 | 0.25 |
| Phase thickness (μm) | 0.25 | 0.25 | 0.25 | 0.27 | 0.25 |
| Tstart (C) | 60. | 60. | 60. | 50. | 60. |
| Tend (C) | 220. | 230. | 280. | 300. | 280. |
| Heat rate (K/min) | 2. | 2. | 4. | 5. | 4. |
| Initial hold (min) | 5. | 5. | |||
| Final hold (min) | 20. | 35. | |||
| I | 1592. | 1594. | 1608. | 1610. | 1608. |
| Reference | Lesueur, de Rocca Serra, et al., 2007 | Paolini, Muselli, et al., 2007 | Saroglou, Dorizas, et al., 2006 | Brantner, Pfeifhofer, et al., 2005 | Grujic-Jovanovic, Skaltsa, et al., 2004 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary | Capillary | Capillary | Capillary |
|---|---|---|---|---|
| Active phase | HP-5 | HP-5 | DB-5 | HP-5 |
| Column length (m) | 30. | 30. | 30. | 30. |
| Carrier gas | N2 | He | He | He |
| 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. | 60. | 60. |
| Tend (C) | 220. | 280. | 260. | 280. |
| Heat rate (K/min) | 5. | 4. | 4. | 3. |
| Initial hold (min) | 10. | 5. | ||
| Final hold (min) | ||||
| I | 1600. | 1606. | 1606. | 1593. |
| Reference | Campeol, Flamini, et al., 2003 | Karioti, Skaltsa, et al., 2003 | Javidnia, Miri, et al., 2002 | Pitarokili, Couladis, et al., 2002 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
References
Go To: Top, Van Den Dool and Kratz 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.
Lesueur, de Rocca Serra, et al., 2007
Lesueur, D.; de Rocca Serra, D.; Bighelli, A.; Hoi, T.M.; Ban, N.K.; Thai, T.H.; Casanova, J.,
Chemical composition and antibacterial activity of the essential oil of Michelia foveolata Merryll ex Dandy from Vietnam,
Flavour Fragr. J., 2007, 22, 4, 317-321, https://doi.org/10.1002/ffj.1799
. [all data]
Paolini, Muselli, et al., 2007
Paolini, J.; Muselli, A.; Bernardini, A.-F.; Bighelli, A.; Casanova, J.; Costa, J.,
Thymol derivatives from essential oil of Doronicum corsicum L.,
Flavour Fragr. J., 2007, 22, 6, 479-487, https://doi.org/10.1002/ffj.1824
. [all data]
Saroglou, Dorizas, et al., 2006
Saroglou, V.; Dorizas, N.; Kypriotakis, Z.; Skaltsa, H.D.,
Analysis of the essential oil composition of eight Anthemis species from Greece,
J. Chromatogr. A, 2006, 1104, 1-2, 313-322, https://doi.org/10.1016/j.chroma.2005.11.087
. [all data]
Brantner, Pfeifhofer, et al., 2005
Brantner, A.H.; Pfeifhofer, H.W.; Ercegovac, O.; Males, Z.; Plazibat, M.,
Essential oil composition and antioxidant activity of Thymus bracteosus Vis. ex Benth.,
Flavour Fragr. J., 2005, 20, 6, 596-600, https://doi.org/10.1002/ffj.1494
. [all data]
Grujic-Jovanovic, Skaltsa, et al., 2004
Grujic-Jovanovic, S.; Skaltsa, H.D.; Marin, P.; Sokovic, M.,
Composition and antibacterial activity of the essential oil of six Stachys species from Serbia,
Flavour Fragr. J., 2004, 19, 2, 139-144, https://doi.org/10.1002/ffj.1275
. [all data]
Campeol, Flamini, et al., 2003
Campeol, E.; Flamini, G.; Cioni, P.L.; Morelli, I.; Cremonini, R.; Ceccarini, L.,
Volatile fractions from three cultivars of Olea eruopaea L. collected in two different seasons,
J. Agric. Food Chem., 2003, 51, 7, 1994-1999, https://doi.org/10.1021/jf026025u
. [all data]
Karioti, Skaltsa, et al., 2003
Karioti, A.; Skaltsa, H.; Demetzos, C.; Perdetzoglou, D.; Economakis, C.D.; Salem, A.B.,
Effect of nitrogen concentration of the nutrient solution on the volatile constituents of leaves of Salvia fruticosa Mill. in solution culture,
J. Agric. Food Chem., 2003, 51, 22, 6505-6508, https://doi.org/10.1021/jf030308k
. [all data]
Javidnia, Miri, et al., 2002
Javidnia, K.; Miri, R.; Kamalinejad, M.; Nasiri, A.,
Composition of the essential oil of Salvia mirzayanii Rech. f. Esfand from Iran,
Flavour Fragr. J., 2002, 17, 6, 465-467, https://doi.org/10.1002/ffj.1128
. [all data]
Pitarokili, Couladis, et al., 2002
Pitarokili, D.; Couladis, M.; Petsikos-Panayotarou, N.; Tzakou, O.,
Composition and antifungal activity on soil-borne pathogens of the essential oil of Salvia sclarea from Greece,
J. Agric. Food Chem., 2002, 50, 23, 6688-6691, https://doi.org/10.1021/jf020422n
. [all data]
Notes
Go To: Top, Van Den Dool and Kratz 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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