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3-O-(3-HYDROXY-METHYL-4-HYDROXY-BUT-2-ENYL)-EMODIN
SpectraBase Compound ID B1egWl60NTr
InChI InChI=1S/C20H18O7/c1-10-4-13-17(15(23)5-10)20(26)18-14(19(13)25)6-12(7-16(18)24)27-3-2-11(8-21)9-22/h2,4-7,21-24H,3,8-9H2,1H3
InChIKey KXYDNSYCGHPPDC-UHFFFAOYSA-N
Mol Weight 370.36 g/mol
Molecular Formula C20H18O7
Exact Mass 370.105253 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID hsqlEFbo9M
Name 3-O-(3-HYDROXY-METHYL-4-HYDROXY-BUT-2-ENYL)-EMODIN
Compound Number 8
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C20H18O7
InChI InChI=1S/C20H18O7/c1-10-4-13-17(15(23)5-10)20(26)18-14(19(13)25)6-12(7-16(18)24)27-3-2-11(8-21)9-22/h2,4-7,21-24H,3,8-9H2,1H3
InChIKey KXYDNSYCGHPPDC-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 370.359 g/mol
Solvent CDCl3