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(M,2S,2''S)-8,5',8''-TRIHYDROXY-7,3',4',7'',3''',4''',5'''-HEPTAMETHOXY-5,5''-BIFLAVAN

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(M,2S,2''S)-8,5',8''-TRIHYDROXY-7,3',4',7'',3''',4''',5'''-HEPTAMETHOXY-5,5''-BIFLAVAN
SpectraBase Compound ID XpkoPr0zIB
InChI InChI=1S/C37H40O12/c1-41-27-16-22(20-8-10-25(48-34(20)32(27)39)18-12-24(38)36(46-6)29(13-18)43-3)23-17-28(42-2)33(40)35-21(23)9-11-26(49-35)19-14-30(44-4)37(47-7)31(15-19)45-5/h12-17,25-26,38-40H,8-11H2,1-7H3/t25-,26-/m0/s1
InChIKey BXMDPVWZQNENII-UIOOFZCWSA-N
Mol Weight 676.7 g/mol
Molecular Formula C37H40O12
Exact Mass 676.251977 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 7RSastFyfLN
Name (M,2S,2''S)-8,5',8''-TRIHYDROXY-7,3',4',7'',3''',4''',5'''-HEPTAMETHOXY-5,5''-BIFLAVAN
Compound Number 4
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C37H40O12
InChI InChI=1S/C37H40O12/c1-41-27-16-22(20-8-10-25(48-34(20)32(27)39)18-12-24(38)36(46-6)29(13-18)43-3)23-17-28(42-2)33(40)35-21(23)9-11-26(49-35)19-14-30(44-4)37(47-7)31(15-19)45-5/h12-17,25-26,38-40H,8-11H2,1-7H3/t25-,26-/m0/s1
InChIKey BXMDPVWZQNENII-UIOOFZCWSA-N
Literature Reference Author W.L.KUO,H.R.LIAO,J.J.CHEN
Literature Reference Citation MOLECULES,19,20521(2014)
Literature Reference DOI 10.3390/molecules191220521
Molecular Weight 676.717 g/mol
Solvent DMSO-D6
Source File Reference UWLU81642