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ASPARASONE-A;1,3,6,8-TETRAHYDROXY-2-(1'-HYDROXY-3'-OXOBUTYL)-ANTHRAQUINONE
SpectraBase Compound ID CKdvGJztYHB
InChI InChI=1S/C18H14O8/c1-6(19)2-10(21)15-12(23)5-9-14(18(15)26)17(25)13-8(16(9)24)3-7(20)4-11(13)22/h3-5,10,20-23,26H,2H2,1H3
InChIKey JXNCVINFWDAYCA-UHFFFAOYSA-N
Mol Weight 358.3 g/mol
Molecular Formula C18H14O8
Exact Mass 358.068867 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID D3mP6MDwgnE
Name ASPARASONE-A;1,3,6,8-TETRAHYDROXY-2-(1'-HYDROXY-3'-OXOBUTYL)-ANTHRAQUINONE
Compound Number 1
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C18H14O8
InChI InChI=1S/C18H14O8/c1-6(19)2-10(21)15-12(23)5-9-14(18(15)26)17(25)13-8(16(9)24)3-7(20)4-11(13)22/h3-5,10,20-23,26H,2H2,1H3
InChIKey JXNCVINFWDAYCA-UHFFFAOYSA-N
Literature Reference Author V.S.SOBOLEV,R.J.COLE,J.W.DORNER,B.W.HORN,G.G.HARRIGAN,J.B.GL OER
Literature Reference Citation J.NAT.PROD.,60,847(1997)
Literature Reference DOI 10.1021/np970131m
Molecular Weight 358.304 g/mol
Solvent DMSO-D6
Source File Reference WANG627