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PHELLIGRIDIN_H;8,9-DIHYDRO-3-{2-(3,4-DIHYDROXYPHENYL)-6-(5,6-DIHYDROXYSTYRYL)-FURO-[3.2-C]-PYRAN-4-OXO-3-YL}-PYRANO-[4.3-C]-ISOCHROMEN-4-ONE
SpectraBase Compound ID 5hqiMa05hPS
InChI InChI=1S/C33H18O13/c34-18-5-2-13(7-20(18)36)1-4-15-9-24-29(33(42)43-15)28(30(44-24)14-3-6-19(35)21(37)8-14)26-12-25-27(32(41)46-26)16-10-22(38)23(39)11-17(16)31(40)45-25/h1-12,34-39H/b4-1+
InChIKey PGRXQKVGAJTEBU-DAFODLJHSA-N
Mol Weight 622.5 g/mol
Molecular Formula C33H18O13
Exact Mass 622.074741 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID EONA8bz0tIM
Name PHELLIGRIDIN_H;8,9-DIHYDRO-3-{2-(3,4-DIHYDROXYPHENYL)-6-(5,6-DIHYDROXYSTYRYL)-FURO-[3.2-C]-PYRAN-4-OXO-3-YL}-PYRANO-[4.3-C]-ISOCHROMEN-4-ONE
Compound Number 1
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C33H18O13
InChI InChI=1S/C33H18O13/c34-18-5-2-13(7-20(18)36)1-4-15-9-24-29(33(42)43-15)28(30(44-24)14-3-6-19(35)21(37)8-14)26-12-25-27(32(41)46-26)16-10-22(38)23(39)11-17(16)31(40)45-25/h1-12,34-39H/b4-1+
InChIKey PGRXQKVGAJTEBU-DAFODLJHSA-N
Literature Reference Author Y.WANG,X.Y.SHANG,S.J.WANG,S.Y.MO,S.LI,Y.C.YANG,F.YE,J.G.SHI, L.HE
Literature Reference Citation J.NAT.PROD.,70,296(2007)
Literature Reference DOI 10.1021/np060476h
Molecular Weight 622.498 g/mol
Sample ID 29684
Solvent DMSO-D6