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3-O-(E-3-HYDROXY-METHYL-BUT-2-ENYL)-EMODIN
SpectraBase Compound ID ARzPLXcvc1b
InChI InChI=1S/C20H18O6/c1-10(9-21)3-4-26-12-7-14-18(16(23)8-12)20(25)17-13(19(14)24)5-11(2)6-15(17)22/h3,5-8,21-23H,4,9H2,1-2H3/b10-3+
InChIKey ODMZVWPIDGYXBZ-XCVCLJGOSA-N
Mol Weight 354.36 g/mol
Molecular Formula C20H18O6
Exact Mass 354.110338 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID CbJM6Mh2BmX
Name 3-O-(E-3-HYDROXY-METHYL-BUT-2-ENYL)-EMODIN
Compound Number 7
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C20H18O6
InChI InChI=1S/C20H18O6/c1-10(9-21)3-4-26-12-7-14-18(16(23)8-12)20(25)17-13(19(14)24)5-11(2)6-15(17)22/h3,5-8,21-23H,4,9H2,1-2H3/b10-3+
InChIKey ODMZVWPIDGYXBZ-XCVCLJGOSA-N
Literature Reference Author A.R.BILIA,A.W.YUSUF,A.BRACA,A.KEITA,I.MORELLI
Literature Reference Citation J.NAT.PROD.,63,16(2000)
Literature Reference DOI 10.1021/np990226j
Molecular Weight 354.359 g/mol
Solvent CDCl3