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#1;5,5'-DIHYDROXY-2',4'-DIMETHOXY-7-[(6-O-BETA-D-APIOFURANOSYL-BETA-D-GLUCOPYRANOSYL)-OXY]-ISOFLAVONE;5-HYDROXY-3-(5-HYDROXY-2,4-DIMETHOXYPHENYL)-4-OXO-4H-CHRO
SpectraBase Compound ID IaHpmTkDEc4
InChI InChI=1S/C28H32O16/c1-38-16-6-17(39-2)14(30)5-12(16)13-7-40-18-4-11(3-15(31)20(18)21(13)32)43-26-24(35)23(34)22(33)19(44-26)8-41-27-25(36)28(37,9-29)10-42-27/h3-7,19,22-27,29-31,33-37H,8-10H2,1-2H3/t19-,22-,23+,24-,25+,26-,27-,28-/m1/s1
InChIKey BFVFCHINTBLHOG-IDLDXROJSA-N
Mol Weight 624.5 g/mol
Molecular Formula C28H32O16
Exact Mass 624.169035 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID LanbXMLN5uL
Name #1;5,5'-DIHYDROXY-2',4'-DIMETHOXY-7-[(6-O-BETA-D-APIOFURANOSYL-BETA-D-GLUCOPYRANOSYL)-OXY]-ISOFLAVONE;5-HYDROXY-3-(5-HYDROXY-2,4-DIMETHOXYPHENYL)-4-OXO-4H-CHRO
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C28H32O16
InChI InChI=1S/C28H32O16/c1-38-16-6-17(39-2)14(30)5-12(16)13-7-40-18-4-11(3-15(31)20(18)21(13)32)43-26-24(35)23(34)22(33)19(44-26)8-41-27-25(36)28(37,9-29)10-42-27/h3-7,19,22-27,29-31,33-37H,8-10H2,1-2H3/t19-,22-,23+,24-,25+,26-,27-,28-/m1/s1
InChIKey BFVFCHINTBLHOG-IDLDXROJSA-N
Literature Reference Author E.INNOCENT
Literature Reference Citation SCI.PHARM.,80,469(2012)
Literature Reference DOI 10.3797/scipharm.1112-23
Molecular Weight 624.552 g/mol
Sample ID 73509
Solvent DMSO-D6