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2-[4,5-dihydroxy-3-(3-hydroxybutanoyl)-9,10-diketo-2-anthryl]acetic acid methyl ester
SpectraBase Compound ID G6cuoH94krP
InChI InChI=1S/C21H18O8/c1-9(22)6-14(24)16-10(8-15(25)29-2)7-12-18(20(16)27)21(28)17-11(19(12)26)4-3-5-13(17)23/h3-5,7,9,22-23,27H,6,8H2,1-2H3
InChIKey PUVXBJLNMVCYJW-UHFFFAOYSA-N
Mol Weight 398.37 g/mol
Molecular Formula C21H18O8
Exact Mass 398.100168 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1yeusIFMNHU
Name 2-[4,5-dihydroxy-3-(3-hydroxybutanoyl)-9,10-diketo-2-anthryl]acetic acid methyl ester
Compound Number 4
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C21H18O8
InChI InChI=1S/C21H18O8/c1-9(22)6-14(24)16-10(8-15(25)29-2)7-12-18(20(16)27)21(28)17-11(19(12)26)4-3-5-13(17)23/h3-5,7,9,22-23,27H,6,8H2,1-2H3
InChIKey PUVXBJLNMVCYJW-UHFFFAOYSA-N
Literature Reference Author T.KUNNARI,J.KANTOLA,K.YLIHONKO,K.D.KLIKA,P.MAENTSAELAE,J.HAK ALA
Literature Reference Citation J.CHEM.SOC.PERKIN-2,1649(1999)
Literature Reference DOI 10.1039/a903248g
Molecular Weight 398.369 g/mol
Solvent Unknown
Source File Reference UWRU10464