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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

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID D3U57Um9Zuy
Name (E)-4''-(3'''-Methoxy-4'''-hydroxyphenyl)-2''-oxo-3''-ene-butanyl-3-(3'-methoxy-4'-hydroxyphenyl)propenoate
Appearance Light yellow powder
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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
Instrument Name Finnigan MAT 90
Ionization Type EI
Literature Reference DOI 10.1021/np010039x
Molecular Weight 384.384 g/mol
Reported Formula C21H20O7
SMILES Oc1c(cc(\C=C\C(COC(\C=C\c2ccc(c(c2)OC)O)=O)=O)cc1)OC
SPLASH splash10-004i-0900000000-935fbbfcb6b764ebabf8
Source of Spectrum G4-65-1230-1
Synonyms Calebin-A
Wiley ID 1883828