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2-HYDROXY-CALAMENENE-14-CARBOXYLIC-ACID-METHYLESTER
SpectraBase Compound ID DQht3ppoSou
InChI InChI=1S/C16H22O3/c1-9(2)11-5-6-12(16(18)19-4)14-8-15(17)10(3)7-13(11)14/h7-9,11-12,17H,5-6H2,1-4H3/t11-,12+/m0/s1
InChIKey AHRBTJNKTOINET-NWDGAFQWSA-N
Mol Weight 262.35 g/mol
Molecular Formula C16H22O3
Exact Mass 262.156895 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID A9jM6zQUh0H
Name 2-HYDROXY-CALAMENENE-14-CARBOXYLIC-ACID-METHYLESTER
Compound Number 8
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C16H22O3
InChI InChI=1S/C16H22O3/c1-9(2)11-5-6-12(16(18)19-4)14-8-15(17)10(3)7-13(11)14/h7-9,11-12,17H,5-6H2,1-4H3/t11-,12+/m0/s1
InChIKey AHRBTJNKTOINET-NWDGAFQWSA-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 262.349 g/mol
Sample ID 63904
Solvent CDCl3