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5,2',4'-Triacetoxy-7-methoxyisoflavanone (Dihydrocajanin acetate)
SpectraBase Compound ID BpKqiaqZMau
InChI InChI=1S/C22H20O9/c1-11(23)29-14-5-6-16(18(7-14)30-12(2)24)17-10-28-19-8-15(27-4)9-20(31-13(3)25)21(19)22(17)26/h5-9,17H,10H2,1-4H3
InChIKey BOMWOGUACIUWCD-UHFFFAOYSA-N
Mol Weight 428.39 g/mol
Molecular Formula C22H20O9
Exact Mass 428.110732 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BwOtSLt8tvj
Name 5,2',4'-Triacetoxy-7-methoxyisoflavanone (Dihydrocajanin acetate)
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H20O9
InChI InChI=1S/C22H20O9/c1-11(23)29-14-5-6-16(18(7-14)30-12(2)24)17-10-28-19-8-15(27-4)9-20(31-13(3)25)21(19)22(17)26/h5-9,17H,10H2,1-4H3
InChIKey BOMWOGUACIUWCD-UHFFFAOYSA-N
Molecular Weight 428.393 g/mol
SMILES c12C(C(c3c(cc(cc3)OC(=O)C)OC(=O)C)COc1cc(cc2OC(=O)C)OC)=O
SPLASH splash10-014r-0912000000-cc2ab27fd09e352f07b2
Source of Spectrum E1-40-2973-0
Synonyms Acetic acid [3-acetyloxy-4-(5-acetyloxy-7-methoxy-4-oxo-3,4-dihydro-2H-1-benzopyran-3-yl)phenyl] ester [3-acetyloxy-4-(5-acetyloxy-7-methoxy-4-oxo-2,3-dihydrochromen-3-yl)phenyl] acetate [3-acetoxy-4-(5-acetoxy-7-methoxy-4-oxo-chroman-3-yl)phenyl] acetate [3-acetyloxy-4-(5-acetyloxy-7-methoxy-4-oxidanylidene-2,3-dihydrochromen-3-yl)phenyl] ethanoate
Wiley ID 1551705