1-Phenanthrenecarboxylic acid, 1,2,3,4,4a,4b,5,6,10,10a-decahydro-1,4a-dimethyl-7-(1-methylethenyl)-, methyl ester, [1R-(1α,4aβ,4bα,10aα)]-
- Formula: C21H30O2
- Molecular weight: 314.4617
- IUPAC Standard InChI: InChI=1S/C21H30O2/c1-14(2)15-7-9-17-16(13-15)8-10-18-20(17,3)11-6-12-21(18,4)19(22)23-5/h8,13,17-18H,1,6-7,9-12H2,2-5H3
- IUPAC Standard InChIKey: VFWGUFBDEBVPBM-UHFFFAOYSA-N
- CAS Registry Number: 54850-32-7
- Chemical structure:
This structure is also available as a 2d Mol file - Other names: Methyl 7,13,15-abietatrienoate; Methyl 7,13,15-Abietatrien-18-oate
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Gas Chromatography
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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
Van Den Dool and Kratz RI, non-polar column, temperature ramp
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | SE-30 | 2466. | Mayr, Lorbeer, et al., 1982 | 25. m/0.28 mm/0.15 μm, H2, 4. K/min; Tstart: 140. C; Tend: 280. C |
Normal alkane RI, non-polar column, temperature ramp
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | HP-5 | 2492. | Isidorov, Lech, et al., 2008 | 30. m/0.25 mm/0.25 μm, Helium, 3. K/min, 300. C @ 30. min; Tstart: 50. C |
References
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Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Mayr, Lorbeer, et al., 1982
Mayr, M.; Lorbeer, E.; Kratzl, K.,
Gas chromatographic separation of diterpene acids on glass capillary columns of different polarity,
J. Amer. Oil Chem. Soc., 1982, 59, 1, 52-57, https://doi.org/10.1007/BF02670069
. [all data]
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]
Notes
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- Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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