(4aS,4bR,10aS)-7-Isopropyl-1,1,4a-trimethyl-1,2,3,4,4a,4b,5,6,10,10a-decahydrophenanthrene
- Formula: C20H32
- Molecular weight: 272.4681
- IUPAC Standard InChI: InChI=1S/C20H32/c1-14(2)15-7-9-17-16(13-15)8-10-18-19(3,4)11-6-12-20(17,18)5/h8,13-14,17-18H,6-7,9-12H2,1-5H3
- IUPAC Standard InChIKey: BBPXZLJCPUPNGH-UHFFFAOYSA-N
- CAS Registry Number: 35241-40-8
- Chemical structure:
This structure is also available as a 2d Mol file - Other names: Phenanthrene, 1,2,3,4,4a,4b,5,6,10,10a-decahydro-1,1,4a-trimethyl-7-(1-methylethyl)-, (4aS,4bR,10aS)-; Phenanthrene, 1,2,3,4,4a,4b,5,6,10,10a-decahydro-1,1,4a-trimethyl-7-(1-methylethyl)-, [4aS-(4aα,4bβ,10aβ)]-; Abieta-7,13-diene; Abietadiene; 7,13-abietadiene; Abitadiene
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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 | HP-5 MS | CP Sil 5 CB | HP-5 | HP-5MS |
| Column length (m) | 30. | 30. | 30. | 30. | 30. |
| Carrier gas | Helium | Helium | N2 | N2 | |
| Substrate | |||||
| Column diameter (mm) | 0.25 | 0.25 | 0.32 | 0.25 | 0.2 |
| Phase thickness (μm) | 0.25 | 0.25 | 0.25 | 0.25 | |
| Tstart (C) | 50. | 50. | 60. | 50. | 60. |
| Tend (C) | 300. | 230. | 300. | 240. | 280. |
| Heat rate (K/min) | 3. | 3. | 4. | 5. | 3. |
| Initial hold (min) | 10. | 1. | |||
| Final hold (min) | 30. | 10. | 4. | ||
| I | 2072. | 2080. | 2073. | 2080. | 2088. |
| Reference | Isidorov, Lech, et al., 2008 | Adams, Beauchamp, et al., 2007 | Baran, von Reuss, et al., 2007 | Cheraif, Ben Jannet, et al., 2007 | Petrakis, Roussis, et al., 2005 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary | Capillary |
|---|---|---|
| Active phase | DB-1 | DB-5 |
| Column length (m) | 50. | 30. |
| Carrier gas | He | |
| Substrate | ||
| Column diameter (mm) | 0.25 | 0.25 |
| Phase thickness (μm) | 0.25 | 0.25 |
| Tstart (C) | 60. | 60. |
| Tend (C) | 240. | 280. |
| Heat rate (K/min) | 3. | 3. |
| Initial hold (min) | ||
| Final hold (min) | 30. | |
| I | 2055. | 2061. |
| Reference | Velasco-Negueruela, Pérez-Alonso, et al., 2005 | Marongiu, Porcedda, et al., 2003 |
| 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.
Isidorov, Lech, et al., 2008
Isidorov, V.A.; Lech, P.; Zolciak, A.; Rusak, N.; Szczepaniak, L.,
Gas Chromatographic - nass spectrometric investigation of metabolites from the needles and roots of pine seedlings at early stages of pathogenic fungi Armillaria ostoyae attack,
Trees, 2008, 22, 4, 531-542, https://doi.org/10.1007/s00468-008-0213-z
. [all data]
Adams, Beauchamp, et al., 2007
Adams, R.P.; Beauchamp, P.S.; Dev, V.; Dutz, S.M.,
New Natural Products Isolated from One-Seeded Juniperus of the Southwestern United States: Isolation and Occurence of 2-Ethenyl-3-methyl Phanol and Its Derivatives,
J. Essent. Oil Res., 2007, 19, 2, 146-152, https://doi.org/10.1080/10412905.2007.9699247
. [all data]
Baran, von Reuss, et al., 2007
Baran, S.; von Reuss, S.H.; König, W.A.; Kalemba, D.,
Composition of the essential oil of Abies koreana Wils.,
Flavour Fragr. J., 2007, 22, 1, 78-83, https://doi.org/10.1002/ffj.1762
. [all data]
Cheraif, Ben Jannet, et al., 2007
Cheraif, I.; Ben Jannet, H.; Hammami, M.; Khouja, M.L.; Mighri, Z.,
Chemical composition and antimicrobial activity of essential oils of Cupressus arizonica Greene,
Biochem. Syst. Ecol., 2007, 35, 12, 813-820, https://doi.org/10.1016/j.bse.2007.05.009
. [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]
Velasco-Negueruela, Pérez-Alonso, et al., 2005
Velasco-Negueruela, A.; Pérez-Alonso, M.J.; Palá-Paúl, J.; Iñigo, A.; López, G.,
The volatile oil composition of the berries of Juniperus macrocarpa Sibth. and Sm., gathered in Spain,
J. Essent. Oil Res., 2005, 17, 1, 61-63, https://doi.org/10.1080/10412905.2005.9698831
. [all data]
Marongiu, Porcedda, et al., 2003
Marongiu, B.; Porcedda, S.; Caredda, A.; de Gioannis, B.; Vargiu, L.; la Colla, P.,
Extraction of Juniperus oxycedrus ssp. Oxycedrus essential oil by supercritical carbon dioxide: influence of some process parameters and biological activity,
Flavour Fragr. J., 2003, 18, 5, 390-397, https://doi.org/10.1002/ffj.1224
. [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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