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2-HYDROXYMETHYLANTHRAQUINONE-3-BETA-O-GLUCOPYRANOSIDE
SpectraBase Compound ID 5583o0QNpMX
InChI InChI=1S/C21H20O9/c22-7-9-5-12-13(17(25)11-4-2-1-3-10(11)16(12)24)6-14(9)29-21-20(28)19(27)18(26)15(8-23)30-21/h1-6,15,18-23,26-28H,7-8H2/t15-,18-,19+,20-,21-/m0/s1
InChIKey BSYSQCIGSQBEKF-JDCPMNFLSA-N
Mol Weight 416.38 g/mol
Molecular Formula C21H20O9
Exact Mass 416.110732 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3KoLYqWeGp5
Name 2-HYDROXYMETHYLANTHRAQUINONE-3-BETA-O-GLUCOPYRANOSIDE
Compound Number 3
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C21H20O9
InChI InChI=1S/C21H20O9/c22-7-9-5-12-13(17(25)11-4-2-1-3-10(11)16(12)24)6-14(9)29-21-20(28)19(27)18(26)15(8-23)30-21/h1-6,15,18-23,26-28H,7-8H2/t15-,18-,19+,20-,21-/m0/s1
InChIKey BSYSQCIGSQBEKF-JDCPMNFLSA-N
Literature Reference Author N.A.EL-EMARY,E.Y.BACKHEET
Literature Reference Citation PHYTOCHEM.,49,277(1998)
Literature Reference DOI 10.1016/S0031-9422(97)01121-7
Molecular Weight 416.384 g/mol
Solvent CD3OD
Source File Reference UWLU305