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CALEBIN-A;4''-(3'''-METHOXY-4'''-HYDROXYPHENYL)-2''-OXO-3''-ENEBUTANYL-3-(3'-METHOXY-4'-HYDROXYPHENYL)-PROPENOATE
SpectraBase Compound ID JnVr69puAnm
InChI InChI=1S/C21H20O7/c1-26-19-11-14(4-8-17(19)23)3-7-16(22)13-28-21(25)10-6-15-5-9-18(24)20(12-15)27-2/h3-12,23-24H,13H2,1-2H3/b7-3+,10-6+
InChIKey UYEWRTKHKAVRDI-ASVGJQBISA-N
Mol Weight 384.38 g/mol
Molecular Formula C21H20O7
Exact Mass 384.120903 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5EX28vAxDu8
Name CALEBIN-A;4''-(3'''-METHOXY-4'''-HYDROXYPHENYL)-2''-OXO-3''-ENEBUTANYL-3-(3'-METHOXY-4'-HYDROXYPHENYL)-PROPENOATE
Compound Number 1
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C21H20O7
InChI InChI=1S/C21H20O7/c1-26-19-11-14(4-8-17(19)23)3-7-16(22)13-28-21(25)10-6-15-5-9-18(24)20(12-15)27-2/h3-12,23-24H,13H2,1-2H3/b7-3+,10-6+
InChIKey UYEWRTKHKAVRDI-ASVGJQBISA-N
Literature Reference Author S.Y.PARK,D.S.H.L.KIM
Literature Reference Citation J.NAT.PROD.,65,1227(2002)
Literature Reference DOI 10.1021/np010039x
Molecular Weight 384.386 g/mol
Solvent ACETONE-D6
Source File Reference UWSI5129