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#4;HEXASPERMONE-C;5''-O-DEMETHYLHEXASPERMONE-B;5-HYDROXY-4',7-DIMETHOXY-2,3-TRANS-ISOFLAVANONE-(2->2'')-4''',5''-DIHYDROXY-7''-METHOXY-2'',3''-TRANS-ISOFLAVANONE

View entire compound with spectra: 1 NMR

#4;HEXASPERMONE-C;5''-O-DEMETHYLHEXASPERMONE-B;5-HYDROXY-4',7-DIMETHOXY-2,3-TRANS-ISOFLAVANONE-(2->2'')-4''',5''-DIHYDROXY-7''-METHOXY-2'',3''-TRANS-ISOFLAVANONE
SpectraBase Compound ID BOX4dJAk5fI
InChI InChI=1S/2C33H28O10/c2*1-39-19-10-6-17(7-11-19)27-31(38)29-23(36)13-21(41-3)15-25(29)43-33(27)32-26(16-4-8-18(34)9-5-16)30(37)28-22(35)12-20(40-2)14-24(28)42-32/h2*4-15,26-27,32-36H,1-3H3/t2*26-,27-,32-,33-/m00/s1
InChIKey KARKMZYQLNGYJD-PYGOVMKBSA-N
Mol Weight 1169.2 g/mol
Molecular Formula C66H56O20
Exact Mass 1168.336494 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3vrirtmXJr7
Name #4;HEXASPERMONE-C;5''-O-DEMETHYLHEXASPERMONE-B;5-HYDROXY-4',7-DIMETHOXY-2,3-TRANS-ISOFLAVANONE-(2->2'')-4''',5''-DIHYDROXY-7''-METHOXY-2'',3''-TRANS-ISOFLAVANONE
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C66H56O20
InChI InChI=1S/2C33H28O10/c2*1-39-19-10-6-17(7-11-19)27-31(38)29-23(36)13-21(41-3)15-25(29)43-33(27)32-26(16-4-8-18(34)9-5-16)30(37)28-22(35)12-20(40-2)14-24(28)42-32/h2*4-15,26-27,32-36H,1-3H3/t2*26-,27-,32-,33-/m00/s1
InChIKey KARKMZYQLNGYJD-PYGOVMKBSA-N
Literature Reference Author I.C.MOREIRA,D.C.SOBRINHO,M.G.D.CARVALHO,R.BRAZ-FILHO
Literature Reference Citation PHYTOCHEM.,35,1567(1994)
Literature Reference DOI 10.1016/S0031-9422(00)86895-8
Molecular Weight 1169.159 g/mol
Solvent CDCl3
Source File Reference UWLU25309