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DEMETHYLEGONOL
SpectraBase Compound ID MQbzYdFUMW
InChI InChI=1S/C18H16O5/c19-5-1-2-11-6-13-9-16(23-18(13)14(20)7-11)12-3-4-15-17(8-12)22-10-21-15/h3-4,6-9,19-20H,1-2,5,10H2
InChIKey KDKDDLPCQDOMGK-UHFFFAOYSA-N
Mol Weight 312.32 g/mol
Molecular Formula C18H16O5
Exact Mass 312.099774 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID DKFDUn05jRY
Name DEMETHYLEGONOL
Compound Number 5-(3-HYDROXYPROPYL)-7-HYDROXY-2-(3,4-METHYLENEDIOXYPH ENYL)-BENZOFURAN#4
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C18H16O5
InChI InChI=1S/C18H16O5/c19-5-1-2-11-6-13-9-16(23-18(13)14(20)7-11)12-3-4-15-17(8-12)22-10-21-15/h3-4,6-9,19-20H,1-2,5,10H2
InChIKey KDKDDLPCQDOMGK-UHFFFAOYSA-N
Literature Reference Author Q.L.LI,B.G.LI,H.Y.QI,X.P.GAO,G.L.ZHANG
Literature Reference Citation PLANTA.MED.,71,847(2005)
Literature Reference DOI 10.1055/s-2005-871226
Molecular Weight 312.322 g/mol
Solvent DMSO-D6
Source File Reference UWMZ48058