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5,6',7-Trihydroxy-3',4'-methylenedioxyisoflavone 6'-o-.beta.,D-glycoside

View entire compound with spectra: 1 NMR

5,6',7-Trihydroxy-3',4'-methylenedioxyisoflavone 6'-o-.beta.,D-glycoside
SpectraBase Compound ID IsN7kxlJqsf
InChI InChI=1S/C22H20O12/c23-5-16-19(27)20(28)21(29)22(34-16)33-12-4-14-13(31-7-32-14)3-9(12)10-6-30-15-2-8(24)1-11(25)17(15)18(10)26/h1-4,6,16,19-25,27-29H,5,7H2/t16-,19-,20-,21-,22-/m1/s1
InChIKey FCFBJQBJZCHUOL-YCDQRNBNSA-N
Mol Weight 476.39 g/mol
Molecular Formula C22H20O12
Exact Mass 476.095476 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID FKjkeCgX5f7
Name 5,6',7-Trihydroxy-3',4'-methylenedioxyisoflavone 6'-o-.beta.,D-glycoside
Comments Computed using HOSE algorithm
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Exact Mass 476.095476072 u
Formula C22H20O12
InChI InChI=1S/C22H20O12/c23-5-16-19(27)20(28)21(29)22(34-16)33-12-4-14-13(31-7-32-14)3-9(12)10-6-30-15-2-8(24)1-11(25)17(15)18(10)26/h1-4,6,16,19-25,27-29H,5,7H2/t16-,19-,20-,21-,22-/m1/s1
InChIKey FCFBJQBJZCHUOL-YCDQRNBNSA-N
Molecular Weight 476.390 g/mol
SMILES C=1(C(C2=C(C=C(C=C2OC1)O)O)=O)C1=C(O[C@]2([C@@]([C@](O)([C@@]([C@](O2)(CO)[H])(O)[H])[H])(O)[H])[H])C=C2C(=C1)OCO2