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1-HYDROXY-2,3,7-TRIMETHOXYXANTHONE-5-SULFATE
SpectraBase Compound ID 8V35OPALXb8
InChI InChI=1S/C16H14O10S/c1-22-7-4-8-13(17)12-9(6-10(23-2)16(24-3)14(12)18)25-15(8)11(5-7)26-27(19,20)21/h4-6,18H,1-3H3,(H,19,20,21)
InChIKey PPWIGABBZKSQJC-UHFFFAOYSA-N
Mol Weight 398.34 g/mol
Molecular Formula C16H14O10S
Exact Mass 398.030768 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6sORupJgIoT
Name 1-HYDROXY-2,3,7-TRIMETHOXYXANTHONE-5-SULFATE
Compound Number 4
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C16H14O10S
InChI InChI=1S/C16H14O10S/c1-22-7-4-8-13(17)12-9(6-10(23-2)16(24-3)14(12)18)25-15(8)11(5-7)26-27(19,20)21/h4-6,18H,1-3H3,(H,19,20,21)
InChIKey PPWIGABBZKSQJC-UHFFFAOYSA-N
Literature Reference Author W.YUAN,L.P.ZHANG,K.D.CHENG,P.ZHU,Q.WANG,H.X.HE,H.X.ZHU
Literature Reference Citation J.NAT.PROD.,69,811(2006)
Literature Reference DOI 10.1021/np050472x
Molecular Weight 398.341 g/mol
Solvent DMSO-D6
Source File Reference UWMZ18424