(1R,2R,4S,6S,7S,8S)-8-Isopropyl-1-methyl-3-methylenetricyclo[4.4.0.02,7]decan-4-ol
- Formula: C15H24O
- Molecular weight: 220.3505
- IUPAC Standard InChI: InChI=1S/C15H24O/c1-8(2)10-5-6-15(4)11-7-12(16)9(3)14(15)13(10)11/h8,10-14,16H,3,5-7H2,1-2,4H3
- IUPAC Standard InChIKey: LPXOPRGPLUWGKB-UHFFFAOYSA-N
- CAS Registry Number: 124753-76-0
- Chemical structure:
This structure is also available as a 2d Mol file - Stereoisomers:
- Other names: Tricyclo[4.4.0.02,7]decan-4-ol, 1-methyl-3-methylene-8-(1-methylethyl)-, (1R,2R,4S,6S,7S,8S)-rel-; β-Copaen-4α-ol; β-Copaene-4α-ol
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- Other data available:
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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 | SPB-1 | HP-5MS | HP-5 | HP-5MS | HP-5MS |
| Column length (m) | 30. | 30. | 30. | 30. | 30. |
| Carrier gas | He | He | He | He | He |
| 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) | 50. | 60. | 40. | 60. | 60. |
| Tend (C) | 250. | 280. | 250. | 280. | 280. |
| Heat rate (K/min) | 5. | 4. | 3. | 4. | 3. |
| Initial hold (min) | 3. | 5. | 5. | ||
| Final hold (min) | 15. | ||||
| I | 1583. | 1579. | 1585. | 1570. | 1565. |
| Reference | Radulovic, Lazarevic, et al., 2007 | Radulovic, Lazarevic, et al., 2007 | Isidorov, Krajewska, et al., 2004 | Karioti, Hadjipavlou-Litina, et al., 2004 | Tzakou, Vagias, et al., 2004 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary | Capillary | Capillary | Capillary |
|---|---|---|---|---|
| Active phase | RTX-1 | HP-5 | HP-5 | HP-5MS |
| Column length (m) | 60. | 30. | 30. | 30. |
| Carrier gas | He | He | He | He |
| Substrate | ||||
| Column diameter (mm) | 0.22 | 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) | 230. | 280. | 280. | 280. |
| Heat rate (K/min) | 2. | 4. | 3. | 4. |
| Initial hold (min) | 5. | 5. | ||
| Final hold (min) | 45. | |||
| I | 1575. | 1579. | 1570. | 1579. |
| Reference | Cavalli, Tomi, et al., 2003 | Skaltsa, Demetzos, et al., 2003 | Pitarokili, Couladis, et al., 2002 | Skaltsa, Mavrommati, et al., 2001 |
| 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.
Radulovic, Lazarevic, et al., 2007
Radulovic, N.; Lazarevic, J.; Ristic, N.; Palic, R.,
Chemotaxonomic significance of the volatiles in the genus Stachys (Lamiaceae): Essential oil composition of four Balkan Stachys species,
Biochem. Syst. Ecol., 2007, 35, 4, 196-208, https://doi.org/10.1016/j.bse.2006.10.010
. [all data]
Isidorov, Krajewska, et al., 2004
Isidorov, V.A.; Krajewska, U.; Vinogorova, V.T.; Vetchinnikova, L.V.; Fuksman, I.L.; Bal, K.,
Gas chromatographic analysis of essential oil from buds of different birch species with preliminary partition of components,
Biochem. Syst. Ecol., 2004, 32, 1, 1-13, https://doi.org/10.1016/S0305-1978(03)00175-3
. [all data]
Karioti, Hadjipavlou-Litina, et al., 2004
Karioti, A.; Hadjipavlou-Litina, D.; Mensah, M.L.K.; Fleischer, T.C.; Skaltsa, H.,
Composition and antioxidant activity of the essential oils of Xylopia aethiopica (Dun) A. Rich. (Annonaceae) leaves, stem bark, root bark, and fresh and dried fruits, growing in Ghana,
J. Agric. Food Chem., 2004, 52, 26, 8094-8098, https://doi.org/10.1021/jf040150j
. [all data]
Tzakou, Vagias, et al., 2004
Tzakou, O.; Vagias, C.; Gani, A.; Yannitsaros, A.,
Volatile constituents of essential oils isolated at different growth stages from three Conyza species growing in Greece,
Flavour Fragr. J., 2004, 19, 425-428. [all data]
Cavalli, Tomi, et al., 2003
Cavalli, J.-F.; Tomi, F.; Bernardini, A.-F.; Casanova, J.,
Composition and chemical variability of the bark oil of Cedrelopsis grevei H. Baillon from Madagascar,
Flavour Fragr. J., 2003, 18, 6, 532-538, https://doi.org/10.1002/ffj.1263
. [all data]
Skaltsa, Demetzos, et al., 2003
Skaltsa, H.D.; Demetzos, C.; Lazari, D.; Sokovic, M.,
Essential oil analysis and antimicrobial activity of eight Stachys species from Greece,
Phytochemistry, 2003, 64, 3, 743-752, https://doi.org/10.1016/S0031-9422(03)00386-8
. [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]
Skaltsa, Mavrommati, et al., 2001
Skaltsa, H.D.; Mavrommati, A.; Constantinidis, T.,
A chemotaxonomic investigation of volatile constituents in Stachys subsect. Swainsonianeae (Labiatae),
Phytochemistry, 2001, 57, 2, 235-244, https://doi.org/10.1016/S0031-9422(01)00003-6
. [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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