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5,7,4'-Trihydroxy-8-(3-hydroxy-3-methylbutyl)isoflavone

View entire compound with spectra: 1 NMR

5,7,4'-Trihydroxy-8-(3-hydroxy-3-methylbutyl)isoflavone
SpectraBase Compound ID 3Zh8gIyVytf
InChI InChI=1S/C20H20O6/c1-20(2,25)8-7-13-15(22)9-16(23)17-18(24)14(10-26-19(13)17)11-3-5-12(21)6-4-11/h3-6,9-10,21-23,25H,7-8H2,1-2H3
InChIKey ZKEHDQGXEYXKFI-UHFFFAOYSA-N
Mol Weight 356.37 g/mol
Molecular Formula C20H20O6
Exact Mass 356.125988 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3q4QfVppF7A
Name 5,7,4'-Trihydroxy-8-(3-hydroxy-3-methylbutyl)isoflavone
Comments Computed using HOSE algorithm
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Exact Mass 356.125988358 u
Formula C20H20O6
InChI InChI=1S/C20H20O6/c1-20(2,25)8-7-13-15(22)9-16(23)17-18(24)14(10-26-19(13)17)11-3-5-12(21)6-4-11/h3-6,9-10,21-23,25H,7-8H2,1-2H3
InChIKey ZKEHDQGXEYXKFI-UHFFFAOYSA-N
Molecular Weight 356.374 g/mol
SMILES C12=C(C(=CC(=C2CCC(C)(C)O)O)O)C(C(=CO1)C1=CC=C(C=C1)O)=O