.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, 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-Wax | HP-Innowax | Innowax | Innowax | DB-Wax |
| Column length (m) | 60. | 30. | 50. | 60. | 60. |
| Carrier gas | He | He | He | He | N2 |
| Substrate | |||||
| Column diameter (mm) | 0.22 | 0.25 | 0.2 | 0.25 | |
| Phase thickness (μm) | 0.25 | 0.25 | 0.2 | 0.25 | |
| Tstart (C) | 60. | 60. | 70. | 60. | 60. |
| Tend (C) | 230. | 240. | 220. | 220. | 220. |
| Heat rate (K/min) | 2. | 2. | 4. | 4. | 5. |
| Initial hold (min) | 10. | ||||
| Final hold (min) | 35. | 20. | 10. | ||
| I | 2051. | 2050. | 2129. | 2092. | 2096. |
| Reference | Paolini, Tomi, et al., 2008 | Hachicha, Skanji, et al., 2007 | Palá-Paúl, García-Jiménez, et al., 2004 | Suleimenov, Atazharova, et al., 2003 | Weyerstahl, Marschall, et al., 1999 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary |
|---|---|
| Active phase | HP-Innowax FSC |
| Column length (m) | 60. |
| Carrier gas | He |
| Substrate | |
| Column diameter (mm) | 0.25 |
| Phase thickness (μm) | 0.25 |
| Tstart (C) | 60. |
| Tend (C) | 220. |
| Heat rate (K/min) | 4. |
| Initial hold (min) | 10. |
| Final hold (min) | 10. |
| I | 2092. |
| Reference | Tümen, Baser, et al., 1998 |
| Comment | MSDC-RI |
References
Go To: Top, Normal alkane RI, 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]
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]
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]
Suleimenov, Atazharova, et al., 2003
Suleimenov, E.M.; Atazharova, G.A.; Demirchi, B.; Baser, K.H.C.; Adekenov, S.M.,
Essential oil composition of Artemisia Lercheana and A. Sieversiana of Kazakhstan flora
in Recent problems of development of new medicines of natural origin, Proceedings of symposium, St.Petersburg - Pushkin, 2003, 382-385. [all data]
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]
Tümen, Baser, et al., 1998
Tümen, G.; Baser, K.H.C.; Demirci, B.; Ermin, N.,
The essential oils of Satureja coerulea Janka and Thymus aznavourii Velen.,
Flavour Fragr. J., 1998, 13, 1, 65-67, https://doi.org/10.1002/(SICI)1099-1026(199801/02)13:1<65::AID-FFJ695>3.0.CO;2-Q
. [all data]
Notes
Go To: Top, Normal alkane RI, 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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