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OFFICINOIC_ACID_A_METHYLESTER
SpectraBase Compound ID 3hrbJqcJSDM
InChI InChI=1S/C21H38O4/c1-6-7-8-9-11-17(2)15-21(23)25-16-19(4)13-10-12-18(3)14-20(22)24-5/h15,18-19H,6-14,16H2,1-5H3/b17-15-
InChIKey CWQOFLDKAXEJDD-ICFOKQHNSA-N
Mol Weight 354.5 g/mol
Molecular Formula C21H38O4
Exact Mass 354.27701 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 19kOiovtyy8
Name OFFICINOIC_ACID_A_METHYLESTER
Compound Number 2A
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C21H38O4
InChI InChI=1S/C21H38O4/c1-6-7-8-9-11-17(2)15-21(23)25-16-19(4)13-10-12-18(3)14-20(22)24-5/h15,18-19H,6-14,16H2,1-5H3/b17-15-
InChIKey CWQOFLDKAXEJDD-ICFOKQHNSA-N
Literature Reference Author E.MANZO,M.L.CIAVATTA,G.VILLANI,M.VARCOMONTI,S.M.A.SAYEM,R.VA NSOEST,M.GAVAGNIN
Literature Reference Citation J.NAT.PROD.,74,1241(2011)
Literature Reference DOI 10.1021/np200226u
Molecular Weight 354.530 g/mol
Sample ID 38308
Solvent CDCl3