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PESTALOTIOPSONE_E;5-CARBOMETHOXYMETHYL-7-HYDROXY-2-(6-HYDROXYHEPTYL)-CHROMONE
SpectraBase Compound ID A7qLLqFUe8l
InChI InChI=1S/C20H26O6/c1-3-25-19(24)10-14-9-15(22)11-18-20(14)17(23)12-16(26-18)8-6-4-5-7-13(2)21/h9,11-13,21-22H,3-8,10H2,1-2H3
InChIKey NRXGHYGIYHFZNK-UHFFFAOYSA-N
Mol Weight 362.42 g/mol
Molecular Formula C20H26O6
Exact Mass 362.172939 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID BKOKS6sxuzJ
Name PESTALOTIOPSONE_E;5-CARBOMETHOXYMETHYL-7-HYDROXY-2-(6-HYDROXYHEPTYL)-CHROMONE
Compound Number 5
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C20H26O6
InChI InChI=1S/C20H26O6/c1-3-25-19(24)10-14-9-15(22)11-18-20(14)17(23)12-16(26-18)8-6-4-5-7-13(2)21/h9,11-13,21-22H,3-8,10H2,1-2H3
InChIKey NRXGHYGIYHFZNK-UHFFFAOYSA-N
Literature Reference Author J.XU,J.KJER,J.SENDKER,V.WRAY,H.GUAN,R.A.EDRADA,W.LIN,J.WU,P. PROKSCH
Literature Reference Citation J.NAT.PROD.,72,662(2009)
Literature Reference DOI 10.1021/np800748u
Molecular Weight 362.423 g/mol
Sample ID 32404
Solvent ACETONE-D6