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1-ACETYL-4,5-DIHYDROXY-2-[(2-METHYL-1,3-DIOXOLAN-2-YL)-METHYL]-ANTHRAQUINONE
SpectraBase Compound ID IMmP06QHnUG
InChI InChI=1S/C21H18O7/c1-10(22)15-11(9-21(2)27-6-7-28-21)8-14(24)17-18(15)19(25)12-4-3-5-13(23)16(12)20(17)26/h3-5,8,23-24H,6-7,9H2,1-2H3
InChIKey MVMGQZWEOGGGFG-UHFFFAOYSA-N
Mol Weight 382.37 g/mol
Molecular Formula C21H18O7
Exact Mass 382.105253 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1qgPjnkc8Z6
Name 1-ACETYL-4,5-DIHYDROXY-2-[(2-METHYL-1,3-DIOXOLAN-2-YL)-METHYL]-ANTHRAQUINONE
Compound Number 16A
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C21H18O7
InChI InChI=1S/C21H18O7/c1-10(22)15-11(9-21(2)27-6-7-28-21)8-14(24)17-18(15)19(25)12-4-3-5-13(23)16(12)20(17)26/h3-5,8,23-24H,6-7,9H2,1-2H3
InChIKey MVMGQZWEOGGGFG-UHFFFAOYSA-N
Literature Reference Author K.KROHN,N.BOEKER,U.FLOERKE,C.FREUND
Literature Reference Citation J.ORG.CHEM.,62,2350(1997)
Literature Reference DOI 10.1021/jo9622587
Molecular Weight 382.370 g/mol
Solvent CDCl3
Source File Reference UWMZ4293