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PENTAGRAMETIN;8,8'-METHYLENEBIS-[3,5,7-TRIHYDROXY-2-(4-METHOXYPHENYL)-4H-1-BENZOPYRAN-4-ONE]
SpectraBase Compound ID 1BMwMariUQa
InChI InChI=1S/C33H24O12/c1-42-16-7-3-14(4-8-16)30-28(40)26(38)24-22(36)12-20(34)18(32(24)44-30)11-19-21(35)13-23(37)25-27(39)29(41)31(45-33(19)25)15-5-9-17(43-2)10-6-15/h3-10,12-13,34-37,40-41H,11H2,1-2H3
InChIKey UNTGWZYMPURTGA-UHFFFAOYSA-N
Mol Weight 612.5 g/mol
Molecular Formula C33H24O12
Exact Mass 612.126776 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID AIAsFaXFqTv
Name PENTAGRAMETIN;8,8'-METHYLENEBIS-[3,5,7-TRIHYDROXY-2-(4-METHOXYPHENYL)-4H-1-BENZOPYRAN-4-ONE]
Compound Number 1
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C33H24O12
InChI InChI=1S/C33H24O12/c1-42-16-7-3-14(4-8-16)30-28(40)26(38)24-22(36)12-20(34)18(32(24)44-30)11-19-21(35)13-23(37)25-27(39)29(41)31(45-33(19)25)15-5-9-17(43-2)10-6-15/h3-10,12-13,34-37,40-41H,11H2,1-2H3
InChIKey UNTGWZYMPURTGA-UHFFFAOYSA-N
Literature Reference Author J.N.ROITMAN,R.Y.WONG,E.WOLLENWEBER
Literature Reference Citation PHYTOCHEM.,34,297(1993)
Literature Reference DOI 10.1016/S0031-9422(00)90824-0
Molecular Weight 612.546 g/mol
Solvent DMSO-D6
Source File Reference UWLU7281