Ent- agathic acid methyl ester

• Formula: C₂₁H₃₂O₄
• Molecular weight: 348.4764
• IUPAC Standard InChI: InChI=1S/C21H32O4/c1-14(13-19(22)24-4)8-10-17-15(2)9-11-18-16(20(23)25-5)7-6-12-21(17,18)3/h13,16-18H,2,6-12H2,1,3-5H3/b14-13+/t16?,17-,18-,21+/m0/s1 Copy

  
• IUPAC Standard InChIKey: MLSGWHAHBQGEBV-QAMHRUCZSA-N Copy
• Chemical structure:
  This structure is also available as a 2d Mol file
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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, custom temperature program

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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.

Sant'Anna, Fontes, et al., 2007
Sant'Anna, B.M.P.; Fontes, S.P.; Pinto, A.C.; Rezende, C.M., Characterization of woody odorant contributors in copaiba oil (Copaifera multijuga Hayne), J. Braz. Chem. Soc., 2007, 18, 5, 984-989, https://doi.org/10.1590/S0103-50532007000500016 . [all data]

Notes

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