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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Normal alkane RI, non-polar column, custom temperature program
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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 |
|---|---|---|---|---|
| Active phase | HP-5MS | CP Sil 8 CB | CP Sil 8 CB | DB-1 |
| Column length (m) | 30. | 50. | 50. | 30. |
| Carrier gas | He | He | He | H2 |
| Substrate | ||||
| Column diameter (mm) | 0.25 | 0.32 | 0.32 | 0.25 |
| Phase thickness (μm) | 0.25 | 0.25 | 0.25 | 0.25 |
| Program | 40C(10min) => 3C/min => 200C => 2C/min => 220C | 50C(5min) => 2C/min => 90C => 15C/min => 240C(4min) | 60C(1min) => 5C/min => 160C => 10C/min => 250C(5min) | 40 0C 3 K/min -> 175 0C 15 K/min -> 240 0C (10 min) |
| I | 1951. | 1969. | 1941. | 1946. |
| Reference | Moronkola, Ogunwande, et al., 2007 | Butkienë, Nivinskienë, et al., 2005 | Mockute, Nivinskiene, et al., 2003 | da Silva, Pedro, et al., 2000 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
References
Go To: Top, Normal alkane RI, non-polar column, custom temperature program, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Moronkola, Ogunwande, et al., 2007
Moronkola, D.O.; Ogunwande, I.A.; Walker, T.M.; Setzer, W.N.; Oyewole, I.O.,
Identification of the main volatile compounds in the leaf and flower of Tithonia diversifolia (Hemsl) Gray,
J. Nat. Med., 2007, 61, 1, 63-66, https://doi.org/10.1007/s11418-006-0019-5
. [all data]
Butkienë, Nivinskienë, et al., 2005
Butkienë, R.; Nivinskienë, O.; Mockutë, D.,
α-Pinene chemotype of leaf (needle) essential oils of Juniperus communis L. growing wild in Vilnius district,
Chemija, 2005, 16, 1, 53-60. [all data]
Mockute, Nivinskiene, et al., 2003
Mockute, D.; Nivinskiene, O.; Bernotiene, G.; Butkiene, R.,
The cis-thujone chemotype of Salvia officinalis L. essential oils,
Chemija, 2003, 14, 4, 216-220. [all data]
da Silva, Pedro, et al., 2000
da Silva, J.A.; Pedro, L.G.; Santos, P.A.G.; Figueiredo, A.C.; Barroso, J.G.; Tenreiro, R.P.; Ribeiro, C.A.; Deans, S.G.; Looman, A.; Scheffer, J.J.C.,
Essential oils from seven populations of Juniperus brevifolia (Seub.) Antoine, an endemic species of the Azores,
Flavour Fragr. J., 2000, 15, 1, 31-39, https://doi.org/10.1002/(SICI)1099-1026(200001/02)15:1<31::AID-FFJ862>3.0.CO;2-C
. [all data]
Notes
Go To: Top, Normal alkane RI, non-polar column, custom temperature program, References
- Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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