1-((1S,3aR,4R,7S,7aS)-4-Hydroxy-7-isopropyl-4-methyloctahydro-1H-inden-1-yl)ethanone
- Formula: C15H26O2
- Molecular weight: 238.3657
- IUPAC Standard InChI: InChI=1S/C15H26O2/c1-9(2)11-7-8-15(4,17)13-6-5-12(10(3)16)14(11)13/h9,11-14,17H,5-8H2,1-4H3
- IUPAC Standard InChIKey: WLXJHVQYKOJBBN-UHFFFAOYSA-N
- CAS Registry Number: 1911-78-0
- 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. - Other names: Oplopanone; (-)-Oplopanone; Oplopanon; Ethanone, 1-[(1S,3aR,4R,7S,7aS)-octahydro-4-hydroxy-4-methyl-7-(1-methylethyl)-1H-inden-1-yl]-; 10-Hydroxyoplopanone
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- Other data available:
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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 | HP-5 MS | DB-5 | HP-5MS | DB-5 | DB-5MS |
| Column length (m) | 30. | 25. | 30. | 30. | 30. |
| Carrier gas | Helium | N2 | He | Helium | He |
| Substrate | |||||
| Column diameter (mm) | 0.25 | 0.25 | 0.32 | 0.25 | 0.25 |
| Phase thickness (μm) | 0.25 | 0.15 | 0.25 | 0.25 | 0.25 |
| Tstart (C) | 70. | 50. | 60. | 35. | 60. |
| Tend (C) | 290. | 200. | 243. | 280. | 280. |
| Heat rate (K/min) | 5. | 4. | 3. | 4. | 3. |
| Initial hold (min) | 3. | 2. | 30. | ||
| Final hold (min) | 10. | ||||
| I | 1737. | 1705. | 1732. | 1752. | 1703. |
| Reference | Radulovic, Dordevic, et al., 2010 | Ouamba, Ouabonzi, et al., 2006 | Sabulal, Dan, et al., 2006 | Kowalski, 2005 | Marongiu, Piras, et al., 2005 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary | Capillary |
|---|---|---|
| Active phase | HP-5MS | DB-5 |
| Column length (m) | 30. | 30. |
| Carrier gas | Helium | |
| Substrate | ||
| Column diameter (mm) | 0.2 | 0.25 |
| Phase thickness (μm) | 0.25 | |
| Tstart (C) | 60. | 60. |
| Tend (C) | 280. | 240. |
| Heat rate (K/min) | 3. | 3. |
| Initial hold (min) | ||
| Final hold (min) | ||
| I | 1740. | 1735. |
| Reference | Petrakis, Roussis, et al., 2005 | Tellez, Estell, et al., 1997 |
| Comment | 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.
Radulovic, Dordevic, et al., 2010
Radulovic, N.; Dordevic, N.; Markovic, M.; Palic, R.,
Volatile constituents of Glechoma Hirsuta Waldst. Kit. and G. Hederacea L. (Lamiaceae),
Bull. Chem. Soc. Ethiop., 2010, 24, 1, 67-76, https://doi.org/10.4314/bcse.v24i1.52962
. [all data]
Ouamba, Ouabonzi, et al., 2006
Ouamba, J.-M.; Ouabonzi, A.; Ekouya, A.; Bessière, J.-M.; Menut, C.; Abena, A.A.; Banzouzi, J.-T.,
Volatile constituents of the essential oil leaf of Lantana salvifolia Jacq. (Verbenaceae),
Flavour Fragr. J., 2006, 21, 1, 158-161, https://doi.org/10.1002/ffj.1553
. [all data]
Sabulal, Dan, et al., 2006
Sabulal, B.; Dan, M.; Pradeep, N.S.; Valsamma, R.K.; George, V.,
Composition and antimicrobial activity of essential oil from the fruits of Amomum cannicarpum,
Acta Pharm. Sin., 2006, 56, 473-480. [all data]
Kowalski, 2005
Kowalski, R.,
Analysis of lipophylic fraction from leaves, inflorescences and rhizomes of Siphium perfoliatum L.,
Acta Soc. Botanicorum Poloniae, 2005, 74, 1, 5-10, https://doi.org/10.5586/asbp.2005.001
. [all data]
Marongiu, Piras, et al., 2005
Marongiu, B.; Piras, A.; Porcedda, S.; Scorciapino, A.,
Chemical composition of the essential oil and supercritical CO2 extract of Commiphora myrrha (Nees) Engl. and of Acorus calamus L.,
J. Agric. Food Chem., 2005, 53, 20, 7939-7943, https://doi.org/10.1021/jf051100x
. [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]
Tellez, Estell, et al., 1997
Tellez, M.R.; Estell, R.E.; Frederickson, E.L.; Havstad, K.M.,
Essntial oil of Flourensia cernua DC,
J. Essent. Oil Res., 1997, 9, 6, 619-624, https://doi.org/10.1080/10412905.1997.9700799
. [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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