(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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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 | DB-5 | BP-1 | DB-5 | SE-54 | HP-5 |
| Column length (m) | 30. | 50. | 30. | 30. | 30. |
| Carrier gas | He | N2 | He | He | |
| Substrate | |||||
| Column diameter (mm) | 0.22 | 0.22 | 0.32 | 0.25 | 0.25 |
| Phase thickness (μm) | 0.25 | 0.25 | 0.25 | 0.25 | 0.25 |
| Tstart (C) | 60. | 60. | 60. | 60. | 60. |
| Tend (C) | 240. | 220. | 240. | 260. | 240. |
| Heat rate (K/min) | 3. | 2. | 3. | 2. | 3. |
| Initial hold (min) | 2. | 3. | 5. | ||
| Final hold (min) | 20. | 5. | |||
| I | 2102. | 2071. | 2067. | 2064. | 2082. |
| Reference | Martins, Santos, et al., 2007 | Boti, Bighelli, et al., 2006 | Dob, Dahmane, et al., 2006 | Alma, Nitz, et al., 2004 | Macchioni, Cioni, et al., 2003 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary | Capillary |
|---|---|---|
| Active phase | HP-5MS | HP-5MS |
| Column length (m) | 30. | 30. |
| Carrier gas | He | |
| Substrate | ||
| Column diameter (mm) | 0.25 | 0.25 |
| Phase thickness (μm) | 0.25 | 0.25 |
| Tstart (C) | 50. | 60. |
| Tend (C) | 280. | 280. |
| Heat rate (K/min) | 3. | 4. |
| Initial hold (min) | 5. | 5. |
| Final hold (min) | ||
| I | 2080. | 2082. |
| Reference | Demetzos, Angelopoulou, et al., 2002 | Skaltsa, Mavrommati, et al., 2001 |
| Comment | 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.
Martins, Santos, et al., 2007
Martins, F.T.; Santos, M.H.; Polo, M.; Barbosa, L.C.A.,
Effects of the interactions among macronutrients, plant age and photoperiod in the composition of Hyptis suaveolens (L.) Poit essential oil from Alfenas (MG), Brazil,
Flavour Fragr. J., 2007, 22, 2, 123-129, https://doi.org/10.1002/ffj.1769
. [all data]
Boti, Bighelli, et al., 2006
Boti, J.B.; Bighelli, A.; Cavaleiro, C.; Salgueiro, L.; Casanova, J.,
Chemical variability of Juniperus oxycedrus ssp. oxycedrus berry and leaf oils from Corsica, analysed by combination of GC, GC-MS and 13C-NMR,
Flavour Fragr. J., 2006, 21, 2, 268-273, https://doi.org/10.1002/ffj.1579
. [all data]
Dob, Dahmane, et al., 2006
Dob, T.; Dahmane, D.; Chelghoum, C.,
Essential oil composition of Juniperus oxycedrus growing in Algeria,
Pharm. Biol., 2006, 44, 1, 1-6, https://doi.org/10.1080/13880200500530922
. [all data]
Alma, Nitz, et al., 2004
Alma, M.H.; Nitz, S.; Kollmannsberger, H.; Digrak, M.; Efe, F.T.; Yilmaz, N.,
Chemical composition and antimicrobial activity of the essential oils from the gum of Turkish Pistachio (Pistacia vera L.),
J. Agric. Food Chem., 2004, 52, 12, 3911-3914, https://doi.org/10.1021/jf040014e
. [all data]
Macchioni, Cioni, et al., 2003
Macchioni, F.; Cioni, P.L.; Flamini, G.; Morelli, I.; Maccioni, S.; Ansaldi, M.,
Chemical composition of essential oils from needles, branches and cones of Pinus pinea, P. halepensis, P. pinaster and P. nigra from central Italy,
Flavour Fragr. J., 2003, 18, 2, 139-143, https://doi.org/10.1002/ffj.1178
. [all data]
Demetzos, Angelopoulou, et al., 2002
Demetzos, C.; Angelopoulou, D.; Perdetzoglou, D.,
A comparative study of the essential oils of Cistus salviifolius in several populations of Crete (Greece),
Biochem. Syst. Ecol., 2002, 30, 7, 651-665, https://doi.org/10.1016/S0305-1978(01)00145-4
. [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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