Methyl dehydroabietate
- 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/h7,9,13-14,18H,6,8,10-12H2,1-5H3
- IUPAC Standard InChIKey: PGZCJOPTDHWYES-UHFFFAOYSA-N
- CAS Registry Number: 1235-74-1
- Chemical structure:
This structure is also available as a 2d Mol file - Stereoisomers:
- Other names: 1-Phenanthrenecarboxylic acid, 1,2,3,4,4a,9,10,10a-octahydro-1,4a-dimethyl-7-(1-methylethyl)-, methyl ester, [1R-(1α,4aβ,10aα)]-; Podocarpa-8,11,13-trien-15-oic acid, 13-isopropyl-, methyl ester; Methyl 8,11,13-abietatrien-18-oate; 1-Phenanthrenecarboxylic acid, 1,2,3,4,4a,9,10,10a-octahydro-1,4a-dimethyl-7-(1-methylethyl)-, methyl ester, (1R,4aS,10aR)-; Dehydroabietic acid methyl ester; Phenanthrene-1-carboxylic acid, 1,2,3,4,4a,9,10,10a-octahydro-7-isopropyl-1,4a-dimethyl-, methyl ester, , [1R-(1α,4aβ,10aα)]-; Methyl abieta-8,11,13-trien-18-oate; NSC 146198; NSC 81596; 1-Phenanthrenecarboxylic acid, 1,2,3,4,4a,9,10,10a-octahydro-1,4a-dimethyl-7-[1-methylethyl]-, methyl ester
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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 |
|---|---|---|
| Active phase | RTX-5 MS | HP-5 |
| Column length (m) | 15. | 30. |
| Carrier gas | Helium | Helium |
| Substrate | ||
| Column diameter (mm) | 0.25 | 0.25 |
| Phase thickness (μm) | 0.25 | 0.25 |
| Program | 35 0C (6 min) 5 0C/min -> 150 0C 10 0C/min -> 280 0C (3 min) | not specified |
| I | 2361. | 2335. |
| Reference | Nadaf, Halimi, et al., 2012 | Isidorov, Lech, et al., 2008 |
| Comment | 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.
Nadaf, Halimi, et al., 2012
Nadaf, M.; Halimi, M.; Mortazavi, M.,
Identification of nonpolar chemical composition Spartium junceum flower growing in Iran by GC-MS,
Middle-East J. Sci. Res., 2012, 11, 2, 221-224. [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
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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