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6-[3-HYDROXY-2-(3-HYDROXY-8-METHOXY-9,10-ANTHRAQUINONE-1-CARBONYL)-PHENYL]-6-OXO-HEXANOIC-ACID
SpectraBase Compound ID 60fpn2RmqMn
InChI InChI=1S/C28H22O9/c1-37-21-10-5-7-16-25(21)28(36)23-17(26(16)34)12-14(29)13-18(23)27(35)24-15(6-4-9-20(24)31)19(30)8-2-3-11-22(32)33/h4-7,9-10,12-13,29,31H,2-3,8,11H2,1H3,(H,32,33)
InChIKey XCENUVJGBHYTDY-UHFFFAOYSA-N
Mol Weight 502.48 g/mol
Molecular Formula C28H22O9
Exact Mass 502.126382 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID KQsIeUVAtqg
Name 6-[3-HYDROXY-2-(3-HYDROXY-8-METHOXY-9,10-ANTHRAQUINONE-1-CARBONYL)-PHENYL]-6-OXO-HEXANOIC-ACID
Compound Number 1 0
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C28H22O9
InChI InChI=1S/C28H22O9/c1-37-21-10-5-7-16-25(21)28(36)23-17(26(16)34)12-14(29)13-18(23)27(35)24-15(6-4-9-20(24)31)19(30)8-2-3-11-22(32)33/h4-7,9-10,12-13,29,31H,2-3,8,11H2,1H3,(H,32,33)
InChIKey XCENUVJGBHYTDY-UHFFFAOYSA-N
Literature Reference Author F.KAISER,L.SCHWINK,J.VELDER,H.G.SCHMALZ
Literature Reference Citation J.ORG.CHEM.,67,9248(2002)
Literature Reference DOI 10.1021/jo026232t
Molecular Weight 502.477 g/mol
Solvent CD2Cl2
Source File Reference UWMS25322