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3-O-(2-HYDROXY-3-METHYL-BUT-3-ENYL)-EMODIN
SpectraBase Compound ID 1c90n2Ku6n
InChI InChI=1S/C20H18O6/c1-9(2)16(23)8-26-11-6-13-18(15(22)7-11)20(25)17-12(19(13)24)4-10(3)5-14(17)21/h4-7,16,21-23H,1,8H2,2-3H3
InChIKey BKCGNJDWDKBYRH-UHFFFAOYSA-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 4iO1v4P5duJ
Name 3-O-(2-HYDROXY-3-METHYL-BUT-3-ENYL)-EMODIN
Compound Number 1
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C20H18O6
InChI InChI=1S/C20H18O6/c1-9(2)16(23)8-26-11-6-13-18(15(22)7-11)20(25)17-12(19(13)24)4-10(3)5-14(17)21/h4-7,16,21-23H,1,8H2,2-3H3
InChIKey BKCGNJDWDKBYRH-UHFFFAOYSA-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