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PHELLIGRIDIN_J;3-CARBOXYL-8,9-DIHYDROXYPYRANO-[4.3-C]-ISOCHROMEN-4-ONE
SpectraBase Compound ID JM4bMdOeQtg
InChI InChI=1S/C13H6O8/c14-6-1-4-5(2-7(6)15)12(18)20-8-3-9(11(16)17)21-13(19)10(4)8/h1-3,14-15H,(H,16,17)
InChIKey HRPMTHJYSWKEDI-UHFFFAOYSA-N
Mol Weight 290.18 g/mol
Molecular Formula C13H6O8
Exact Mass 290.006267 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID JDkUkzjHYxU
Name PHELLIGRIDIN_J;3-CARBOXYL-8,9-DIHYDROXYPYRANO-[4.3-C]-ISOCHROMEN-4-ONE
Compound Number 3
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C13H6O8
InChI InChI=1S/C13H6O8/c14-6-1-4-5(2-7(6)15)12(18)20-8-3-9(11(16)17)21-13(19)10(4)8/h1-3,14-15H,(H,16,17)
InChIKey HRPMTHJYSWKEDI-UHFFFAOYSA-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 290.186 g/mol
Sample ID 29686
Solvent DMSO-D6