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2-METHOXY-CALAMENENE-14-CARBOXYLIC-ACID-METHYLESTER
SpectraBase Compound ID I3lj7i0PCj
InChI InChI=1S/C17H24O3/c1-10(2)12-6-7-13(17(18)20-5)15-9-16(19-4)11(3)8-14(12)15/h8-10,12-13H,6-7H2,1-5H3/t12-,13+/m0/s1
InChIKey ZXEWQASLGANCTL-QWHCGFSZSA-N
Mol Weight 276.38 g/mol
Molecular Formula C17H24O3
Exact Mass 276.172545 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID JyDlQxl25yv
Name 2-METHOXY-CALAMENENE-14-CARBOXYLIC-ACID-METHYLESTER
Compound Number 7
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C17H24O3
InChI InChI=1S/C17H24O3/c1-10(2)12-6-7-13(17(18)20-5)15-9-16(19-4)11(3)8-14(12)15/h8-10,12-13H,6-7H2,1-5H3/t12-,13+/m0/s1
InChIKey ZXEWQASLGANCTL-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 276.376 g/mol
Sample ID 63903
Solvent CDCl3