Phenanthrene, 1,2,3,4,4a,9,10,10a-octahydro-1,1,4a-trimethyl-7-(1-methylethyl)-, (4aS-trans)-
- Formula: C20H30
- Molecular weight: 270.4522
- IUPAC Standard InChI: InChI=1S/C20H30/c1-14(2)15-7-9-17-16(13-15)8-10-18-19(3,4)11-6-12-20(17,18)5/h7,9,13-14,18H,6,8,10-12H2,1-5H3/t18-,20+/m1/s1
- IUPAC Standard InChIKey: QUUCYKKMFLJLFS-QUCCMNQESA-N
- CAS Registry Number: 19407-28-4
- Chemical structure:
This structure is also available as a 2d Mol file - Stereoisomers:
- Other names: Podocarpa-8,11,13-triene, 13-isopropyl-; ar-Abietatriene; Abieta-8,11,13-triene; Abietane, dehydro-; Dehydroabietan; Dehydroabietane; Abietatriene; 8,11,13-Abietatriene; (4aS,10aS)-7-Isopropyl-1,1,4a-trimethyl-1,2,3,4,4a,9,10,10a-octahydrophenanthrene; Abitatriene
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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 | DP-5 | DB-5 MS | HP-5 | DB-5 | SPB-1 |
| Column length (m) | 30. | 30. | 30. | 30. | 30. |
| Carrier gas | Helium | Helium | Helium | Helium | Helium |
| Substrate | |||||
| Column diameter (mm) | 0.25 | 0.25 | 0.252 | 0.25 | 0.25 |
| Phase thickness (μm) | 0.25 | 0.25 | 0.25 | 0.25 | 0.25 |
| Tstart (C) | 80. | 60. | 60. | 50. | 50. |
| Tend (C) | 300. | 270. | 240. | 250. | 250. |
| Heat rate (K/min) | 4. | 3. | 3. | 2. | 5. |
| Initial hold (min) | 1. | 3. | |||
| Final hold (min) | 40. | 15. | |||
| I | 2004. | 2094. | 2050. | 2057. | 2039. |
| Reference | Vijayakumar, Duraipandiyan, et al., 2012 | Cui, Yang, et al., 2011 | Cavar, Maksimovic, et al., 2010 | Ho, Wang, et al., 2010 | Lazarevic, Palic, et al., 2010 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
|---|---|---|---|---|---|
| Active phase | SPB-1 | HP-5 MS | SE-54 | HP-5 | HP-5 |
| Column length (m) | 30. | 30. | 30. | 30. | 30. |
| Carrier gas | Helium | Helium | Helium | Nitrogen | Helium |
| Substrate | |||||
| Column diameter (mm) | 0.20 | 0.25 | 0.25 | 0.25 | 0.25 |
| Phase thickness (μm) | 0.20 | 0.25 | 0.25 | 0.25 | 0.25 |
| Tstart (C) | 70. | 70. | 60. | 50. | 50. |
| Tend (C) | 220. | 290. | 260. | 280. | 300. |
| Heat rate (K/min) | 3. | 5. | 2. | 5. | 3. |
| Initial hold (min) | 5. | 1. | |||
| Final hold (min) | 15. | 10. | 999. | 1. | 30. |
| I | 2021. | 2070. | 2040. | 2058. | 2049. |
| Reference | Neves, Rosa, et al., 2010 | Radulovic, Blagojevic, et al., 2010 | Dayisoylu and Alma, 2009 | Bousaada, Ammar, et al., 2008 | Isidorov, Lech, et al., 2008 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
|---|---|---|---|---|---|
| Active phase | HP-5 MS | CP Sil 5 CB | HP-5 | SPB-1 | DB-1 |
| Column length (m) | 30. | 30. | 30. | 30. | 50. |
| Carrier gas | Helium | N2 | N2 | Helium | |
| Substrate | |||||
| Column diameter (mm) | 0.25 | 0.32 | 0.25 | 0.20 | 0.25 |
| Phase thickness (μm) | 0.25 | 0.25 | 0.25 | 0.20 | 0.25 |
| Tstart (C) | 50. | 60. | 50. | 70. | 60. |
| Tend (C) | 230. | 300. | 240. | 220. | 240. |
| Heat rate (K/min) | 3. | 4. | 5. | 3. | 3. |
| Initial hold (min) | 10. | 1. | |||
| Final hold (min) | 10. | 4. | 15. | ||
| I | 2054. | 2044. | 2054. | 2018. | 2025. |
| Reference | Adams, Beauchamp, et al., 2007 | Baran, von Reuss, et al., 2007 | Cheraif, Ben Jannet, et al., 2007 | Cavaleiro, Pinto, et al., 2006 | Velasco-Negueruela, Pérez-Alonso, et al., 2005 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
|---|---|---|---|---|---|
| Active phase | DB-5 | HP-1 | DB-5 | DB-5 | HP-1 |
| 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 | 0.1 |
| Tstart (C) | 60. | 70. | 60. | 35. | 50. |
| Tend (C) | 280. | 220. | 240. | 280. | 300. |
| Heat rate (K/min) | 3. | 3. | 3. | 4. | 5. |
| Initial hold (min) | 2. | 2. | |||
| Final hold (min) | 30. | 15. | 15. | 3. | |
| I | 2030. | 2019. | 2051. | 2075. | 2072. |
| Reference | Marongiu, Porcedda, et al., 2003 | Cavaleiro, Salgueiro, et al., 2002 | Kobaisy, Tellez, et al., 2002 | Krauze-Baranowska, Mardarowicz, et al., 2002 | Boatright and Crum, 1997 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | 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.
Vijayakumar, Duraipandiyan, et al., 2012
Vijayakumar, A.; Duraipandiyan, V.; Jeyarai, B.; Agastian, P.; Raj, M.K.; Ignacimunthu, S.,
Phytochemical analysis and in vitro antimicrobial activity of Illicium griffithii Hook f. Thoms extracts,
Asian Pacific J. Tropical Diseases, 2012, 2, 3, 190-199, https://doi.org/10.1016/S2222-1808(12)60045-0
. [all data]
Cui, Yang, et al., 2011
Cui, J.; Yang, X.; Dong, A.-J.; Cheng, D.-Y.; Wang, J.; Zhao, H.-T.; Xu, R.-B.; Wang, P.; Li, W.-J.,
Chemical composition and antioxidant activity of Wuphorbia fischeriana essential oil from China,
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Cavar, Maksimovic, et al., 2010
Cavar, S.; Maksimovic, M.; Solic, M.E.,
Comparison of essential oil composition of Stachys menthufolia Vis. from two natural habitas in Croatia,
Biologica Nyssana, 2010, 1, 1-2, 99-103. [all data]
Ho, Wang, et al., 2010
Ho, C.-L.; Wang, E.I.-C.; Yu, H.-T.; Yu, H.-M.; Su, Y.-C.,
Composition amd antioxidant activities of essential oils of different tissues from Cryptomeria japonica D. Don,
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Lazarevic, Palic, et al., 2010
Lazarevic, J.S.; Palic, R.V.M.; Radulovic, N.S.; Ristic, N.R.; Stojanovic, G.S.,
Chemical composition and screening of the antimicrobial and antioxidative acrivity of extracts of Stachys species,
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Neves, Rosa, et al., 2010
Neves, A.; Rosa, S.; Goncalves, J.; Rufino, A.; Judas, F.; Salgueiro, L.; Lopes, M.C.; Cavaleiro, C.; Mendes, A.F.,
Screening of five essential oils for identification of potential inhibitors of IL-1-unduced Nf-kB activation and NO production in human clondrocytes: characterization of the inhibitory activity of alpha-pinene,
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Radulovic, Blagojevic, et al., 2010
Radulovic, N.; Blagojevic, P.; Palic, R.,
Comparative study of the leaf volatiles of Arctostaphylos uva-ursi (L.) Spreng. and Vaccinium vitis-idaea L. (Ericaceae),
Molecules, 2010, 15, 9, 6168-6185, https://doi.org/10.3390/molecules15096168
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Dayisoylu and Alma, 2009
Dayisoylu, K.S.; Alma, M.H.,
Chemical analysis of essential oils from cone's rosin of Cilician fir (Abies cilicica subsp. cilicica),
Afr. J. Biotechnol., 2009, 8, 15, 3502-3505. [all data]
Bousaada, Ammar, et al., 2008
Bousaada, O.; Ammar, S.; Saidana, D.; Chriaa, J.; Chraif, I.; Daami, M.; Helal, A.N.; Mighri, Z.,
Chemical composition and antimicrobial activity of volatile components from capitula and aerial parts of Rhaponticum acaule DC growing wild in Tunisia,
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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,
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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,
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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.,
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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,
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Cavaleiro, Pinto, et al., 2006
Cavaleiro, C.; Pinto, E.; Gonsales, M.J.; Salguero, L.,
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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,
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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
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Cavaleiro, Salgueiro, et al., 2002
Cavaleiro, C.; Salgueiro, L.; Barroso, J.G.; Figueiredo, A.C.; Pedro, L.G.; Fontinha, S.S.; Bighelli, A.; Casanova, J.; Looman, A.; Scheffer, J.J.C.,
Composition of the essential oil of Juniperus cedrus Webb and Berth. grown on Madeira,
Flavour Fragr. J., 2002, 17, 2, 111-114, https://doi.org/10.1002/ffj.1061
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Kobaisy, Tellez, et al., 2002
Kobaisy, M.; Tellez, M.R.; Dayan, F.E.; Duke, S.O.,
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Krauze-Baranowska, Mardarowicz, et al., 2002
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Boatright and Crum, 1997
Boatright, W.L.; Crum, A.D.,
Nonpolar-volatile lipids from soy protein isolates and hexane-defatted flakes,
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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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