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3'-(4'''-BROMOPHENYL)-2'-Z-PROPENYL_3-(3''-HYDROXY-4''-BENZYLOXYPHENYL)-PROPANOATE
SpectraBase Compound ID BP263yXGfDD
InChI InChI=1S/C25H23BrO4/c26-22-12-8-19(9-13-22)7-4-16-29-25(28)15-11-20-10-14-24(23(27)17-20)30-18-21-5-2-1-3-6-21/h1-10,12-14,17,27H,11,15-16,18H2/b7-4-
InChIKey XHSMINIKLYLNSC-DAXSKMNVSA-N
Mol Weight 467.36 g/mol
Molecular Formula C25H23BrO4
Exact Mass 466.077972 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID HfCltpme2JB
Name 3'-(4'''-BROMOPHENYL)-2'-Z-PROPENYL_3-(3''-HYDROXY-4''-BENZYLOXYPHENYL)-PROPANOATE
Compound Number 20
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C25H23BrO4
InChI InChI=1S/C25H23BrO4/c26-22-12-8-19(9-13-22)7-4-16-29-25(28)15-11-20-10-14-24(23(27)17-20)30-18-21-5-2-1-3-6-21/h1-10,12-14,17,27H,11,15-16,18H2/b7-4-
InChIKey XHSMINIKLYLNSC-DAXSKMNVSA-N
Literature Reference Author G.R.PETTIT,P.D.QUISTORF,J.A.FRY,D.L.HERALD,E.HAMEL,J.C.CHAPU IS
Literature Reference Citation J.NAT.PROD.,72,876(2009)
Literature Reference DOI 10.1021/np800635h
Molecular Weight 467.359 g/mol
Sample ID 32555
Solvent CDCl3