Phenanthrene, 7-ethenyl-1,2,3,4,4a,4b,5,6,7,9,10,10a-dodecahydro-1,1,4a,7-tetramethyl-, [4aS-(4aα,4bβ,7β,10aβ)]-
- Formula: C20H32
- Molecular weight: 272.4681
- IUPAC Standard InChI: InChI=1S/C20H32/c1-6-19(4)13-10-16-15(14-19)8-9-17-18(2,3)11-7-12-20(16,17)5/h6,14,16-17H,1,7-13H2,2-5H3/t16?,17?,19-,20-/m0/s1
- IUPAC Standard InChIKey: XDSYKASBVOZOAG-WXDAQCLHSA-N
- CAS Registry Number: 1686-56-2
- Chemical structure:
This structure is also available as a 2d Mol file - Stereoisomers:
- Other names: Podocarp-8(14)-ene, 13β-methyl-13-vinyl-; Sandaracopimaradiene; 13-Isopimaradiene; 8(14),15-Sandaracopimaradiene; Sandaracopimara-8(14),15-diene; (4aS,4bS,7R,10aS)-1,1,4a,7-Tetramethyl-7-vinyl-1,2,3,4,4a,4b,5,6,7,9,10,10a-dodecahydrophenanthrene; Pimara-8(14),15-diene; Pimaradiene
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- Other data available:
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Kovats' 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 | DB-5 | DB-5 | HP-5MS | SE-54 | DB-5 |
| Column length (m) | 30. | 30. | 30. | 30. | 30. |
| Carrier gas | He | He | He | He | He |
| Substrate | |||||
| Column diameter (mm) | 0.26 | 0.26 | 0.25 | 0.26 | 0.26 |
| Phase thickness (μm) | 0.25 | 0.25 | 0.25 | 0.25 | 0.25 |
| Tstart (C) | 60. | 60. | 50. | 60. | 60. |
| Tend (C) | 246. | 246. | 250. | 246. | 240. |
| Heat rate (K/min) | 3. | 3. | 3. | 3. | 3. |
| Initial hold (min) | 10. | ||||
| Final hold (min) | 5. | ||||
| I | 1966. | 1960. | 1950. | 1961. | 1941. |
| Reference | Adams, Morris, et al., 2005 | Adams and Nguyen, 2005 | Asuming, Beauchamp, et al., 2005 | Adams, 2000 | Adams, 2000, 2 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary | Capillary | Capillary | Capillary |
|---|---|---|---|---|
| Active phase | DB-5 | SE-54 | DB-5 | DB-5 |
| Column length (m) | 30. | 30. | 30. | 30. |
| Carrier gas | He | He | He | |
| Substrate | ||||
| Column diameter (mm) | 0.26 | 0.26 | 0.26 | 0.26 |
| Phase thickness (μm) | 0.25 | 0.25 | 0.25 | 0.25 |
| Tstart (C) | 60. | 60. | 60. | 60. |
| Tend (C) | 240. | 246. | 246. | 246. |
| Heat rate (K/min) | 3. | 3. | 3. | 3. |
| Initial hold (min) | ||||
| Final hold (min) | ||||
| I | 1961. | 1961. | 1960. | 1961. |
| Reference | Adams, 2000, 2 | Adams, 2000, 3 | Adams, 2000, 4 | Adams, 1999 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
References
Go To: Top, Kovats' 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.
Adams, Morris, et al., 2005
Adams, R.P.; Morris, J.A.; Pandey, R.N.; Schwarzbach, A.E.,
Cryptic speciation between Juniperus deltoides and Juniperus oxycedrus (Cupressaceae) in the Mediterranean,
Biochem. Syst. Ecol., 2005, 33, 8, 771-787, https://doi.org/10.1016/j.bse.2005.01.001
. [all data]
Adams and Nguyen, 2005
Adams, R.P.; Nguyen, S.,
Infra-specific variation in Juniperus deppeana and F. Sperryi in the Davis Mountains of Texas: variation in leaf essential oils and random amplified polymorphic DNAS (RAPDS),
Phytologia, 2005, 87, 2, 96-108. [all data]
Asuming, Beauchamp, et al., 2005
Asuming, W.A.; Beauchamp, P.S.; Descalzo, J.T.; Dev, B.C.; Dev, V.; Frost, S.; Ma, C.W.,
Essential oil composition of four Lomatium Raf. species and their chemotaxonomy,
Biochem. Syst. Ecol., 2005, 33, 1, 17-26, https://doi.org/10.1016/j.bse.2004.06.005
. [all data]
Adams, 2000
Adams, R.P.,
Systematics of smooth leaf margin Juniperus of the western hemisphere based on leaf essential oils and RAPD DNA fingerprinting,
Biochem. Syst. Ecol., 2000, 28, 2, 149-162, https://doi.org/10.1016/S0305-1978(99)00047-2
. [all data]
Adams, 2000, 2
Adams, R.P.,
Systematics of Juniperus section Juniperus based on leaf essential oils and random amplified polymorphic DNAs (RAPDs),
Biochem. Syst. Ecol., 2000, 28, 6, 515-528, https://doi.org/10.1016/S0305-1978(99)00089-7
. [all data]
Adams, 2000, 3
Adams, R.P.,
Systematics of the one seeded Juniperus of the eastern hemisphere based on leaf essential oils and random amplified polymorphic DNAs (RAPDs),
Biochem. Syst. Ecol., 2000, 28, 6, 529-543, https://doi.org/10.1016/S0305-1978(99)00096-4
. [all data]
Adams, 2000, 4
Adams, R.P.,
The serrate leaf margined Juniperus (Section Sabina) of the western hemisphere: systematics and evolution based on leaf essential oils and Random Amplified Polymorphic DNAs (RAPDs),
Biochem. Syst. Ecol., 2000, 28, 10, 975-989, https://doi.org/10.1016/S0305-1978(00)00022-3
. [all data]
Adams, 1999
Adams, R.P.,
Systematics of multi-seeded eastern hemisphere Juniperus based on leaf essential oils and RAPD DNA fingerprinting,
Biochem. Syst. Ecol., 1999, 27, 7, 709-725, https://doi.org/10.1016/S0305-1978(99)00016-2
. [all data]
Notes
Go To: Top, Kovats' 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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