1-Phenanthrenecarboxylic acid, 1,2,3,4,4a,4b,5,6,7,9,10,10a-dodecahydro-1,4a-dimethyl-7-(1-methylethylidene)-, methyl ester, [1R-(1α,4aβ,4bα,10aα)]-
- Formula: C21H32O2
- Molecular weight: 316.4776
- IUPAC Standard InChI: InChI=1S/C21H32O2/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/h13,17-18H,6-12H2,1-5H3/t17?,18?,20?,21-/m0/s1
- IUPAC Standard InChIKey: XLNYKQDSHLEWFW-QDDLRWIDSA-N
- CAS Registry Number: 3310-97-2
- Chemical structure:
This structure is also available as a 2d Mol file - Stereoisomers:
- Other names: Podocarp-8(14)-en-15-oic acid, 13-isopropylidene-, methyl ester; Methyl neoabietate; Neoabietic acid, methyl ester
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Mass spectrum (electron ionization)
Go To: Top, Gas Chromatography, 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
Spectrum
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Additional Data
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| Owner | NIST Mass Spectrometry Data Center Collection (C) 2014 copyright by the U.S. Secretary of Commerce on behalf of the United States of America. All rights reserved. |
|---|---|
| Origin | D.F.ZINKEL US FOREST PRODUCTS LAB., MADISON, WISCONSIN, USA |
| NIST MS number | 14933 |
Gas Chromatography
Go To: Top, Mass spectrum (electron ionization), 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
Kovats' RI, non-polar column, isothermal
| Column type | Active phase | Temperature (C) | I | Reference | Comment |
|---|---|---|---|---|---|
| Packed | OV-101 | 200. | 2387. | Kosyukova and Khorguani, 1989 | Chromaton N-AW-DMCS; Column length: 2.5 m |
| Packed | OV-101 | 210. | 2397. | Kosyukova and Khorguani, 1989 | Chromaton N-AW-DMCS; Column length: 2.5 m |
Kovats' RI, polar column, isothermal
| Column type | Active phase | Temperature (C) | I | Reference | Comment |
|---|---|---|---|---|---|
| Packed | Carbowax 20M | 190. | 3055. | Kosyukova and Khorguani, 1989 | Chromaton N-AW-DMCS; Column length: 2.5 m |
| Packed | Carbowax 20M | 200. | 3062. | Kosyukova and Khorguani, 1989 | Chromaton N-AW-DMCS; Column length: 2.5 m |
Van Den Dool and Kratz RI, non-polar column, temperature ramp
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | CP Sil 5 CB | 2439. | Pfeifhofer, 2000 | 50. m/0.22 mm/0.13 μm, H2, 4. K/min, 300. C @ 10. min; Tstart: 40. C |
Normal alkane RI, non-polar column, temperature ramp
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | SPB-1 | 2431. | Lazarevic, Palic, et al., 2010 | 30. m/0.25 mm/0.25 μm, Helium, 50. C @ 3. min, 5. K/min, 250. C @ 15. min |
| Capillary | HP-5 | 2431. | Isidorov, Lech, et al., 2008 | 30. m/0.25 mm/0.25 μm, Helium, 3. K/min, 300. C @ 30. min; Tstart: 50. C |
Normal alkane RI, non-polar column, custom temperature program
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | HP-5 | 2439. | Isidorov, Lech, et al., 2008 | 30. m/0.25 mm/0.25 μm, Helium; Program: not specified |
References
Go To: Top, Mass spectrum (electron ionization), Gas Chromatography, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Kosyukova and Khorguani, 1989
Kosyukova, L.V.; Khorguani, T.V.,
Retention indices of diterpenes isolated from resins of coniferous trees,
Zh. Anal. Khim., 1989, 44, 9, 1309-1313. [all data]
Pfeifhofer, 2000
Pfeifhofer, H.W.,
Composition of the essential oil of Pinus canariensis Sweet ex Sprengel,
Flavour Fragr. J., 2000, 15, 4, 266-270, https://doi.org/10.1002/1099-1026(200007/08)15:4<266::AID-FFJ908>3.0.CO;2-E
. [all data]
Lazarevic, Palic, et al., 2010
Lazarevic, J.S.; Palic, R.V.M.; Radulovic, N.S.; Ristic, N.R.; Stojanovic, G.S.,
Chemical composition and screening of the antimicrobial and antioxidative acrivity of extracts of Stachys species,
J. Serb. Chem. Soc., 2010, 75, 10, 1347-1359, https://doi.org/10.2298/JSC100601117L
. [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, Mass spectrum (electron ionization), Gas Chromatography, References
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