1-Phenanthrenecarboxylic acid, 7-ethenyl-1,2,3,4,4a,4b,5,6,7,9,10,10a-dodecahydro-1,4a,7-trimethyl-, methyl ester, [1R-(1α,4aβ,4bα,7β,10aα)]-

• Formula: C₂₁H₃₂O₂
• Molecular weight: 316.4776
• IUPAC Standard InChI: InChI=1S/C21H32O2/c1-6-19(2)13-10-16-15(14-19)8-9-17-20(16,3)11-7-12-21(17,4)18(22)23-5/h6,14,16-17H,1,7-13H2,2-5H3/t16-,17+,19+,20+,21+/m1/s1 Copy

  
• IUPAC Standard InChIKey: BGCXKCIPDDNDEV-DIZVHYTASA-N Copy
• CAS Registry Number: 3730-56-1
• Chemical structure:
  This structure is also available as a 2d Mol file
• Stereoisomers:
  • 1-Phenanthrenecarboxylic acid, 7-ethenyl-1,2,3,4,4a,4b,5,6,7,9,10,10a-dodecahydro-1,4a,7-trimethyl-, methyl ester, [1R-(1α,4aβ,4bα,7α,10aα)]-
• Other names: Podocarp-8(14)-en-15-oic acid, 13α-methyl-13-vinyl-, methyl ester; Methyl pimarate; Methyl dextropimarate; Methyl 8(14),15-Pimaradien-18-oate
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• Information on this page:
  • Mass spectrum (electron ionization)
  • Gas Chromatography
  • References
  • Notes
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Mass spectrum (electron ionization)

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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

Spectrum

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Additional Data

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

Kovats' RI, non-polar column, isothermal

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Kovats' RI, non-polar column, temperature ramp

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Kovats' RI, polar column, isothermal

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Van Den Dool and Kratz RI, non-polar column, temperature ramp

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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.

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]

Raina, Verma, et al., 2006
Raina, V.K.; Verma, S.C.; Dhawan, S.; Khan, M.; Ramesh, S.; Singh, S.C.; Yadav, A.; Srivastava, S.K., Essential oil composition of Murraya exotica from the plains of northern India, Flavour Fragr. J., 2006, 21, 1, 140-142, https://doi.org/10.1002/ffj.1547 . [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]

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]

Notes

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• Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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