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2-ACETOXY-CALAMENENE-14-CARBOXYLIC-ACID
SpectraBase Compound ID DQMqaquy4A0
InChI InChI=1S/C17H22O4/c1-9(2)12-5-6-13(17(19)20)15-8-16(21-11(4)18)10(3)7-14(12)15/h7-9,12-13H,5-6H2,1-4H3,(H,19,20)/t12-,13+/m0/s1
InChIKey IWPYBYYIKMWWGA-QWHCGFSZSA-N
Mol Weight 290.36 g/mol
Molecular Formula C17H22O4
Exact Mass 290.151809 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID IeEPYL4sTMl
Name 2-ACETOXY-CALAMENENE-14-CARBOXYLIC-ACID
Compound Number 3
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C17H22O4
InChI InChI=1S/C17H22O4/c1-9(2)12-5-6-13(17(19)20)15-8-16(21-11(4)18)10(3)7-14(12)15/h7-9,12-13H,5-6H2,1-4H3,(H,19,20)/t12-,13+/m0/s1
InChIKey IWPYBYYIKMWWGA-QWHCGFSZSA-N
Literature Reference Author M.MORIMOTO,C.L.CANTRELL,L.LIBOUS-BAILEY,S.O.DUKE
Literature Reference Citation PHYTOCHEM.,70,69(2009)
Literature Reference DOI 10.1016/j.phytochem.2008.09.026
Molecular Weight 290.359 g/mol
Sample ID 63899
Solvent CDCl3