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NIGRICANSIDE;2-BETA-D-GLUCOPYRANOSYL-1,3,5,8-TETRAHYDROXY-9H-XANTHENE-9-ONE
SpectraBase Compound ID AfeYHfmXt5m
InChI InChI=1S/C19H18O11/c20-4-9-13(24)16(27)17(28)19(30-9)11-7(23)3-8-12(15(11)26)14(25)10-5(21)1-2-6(22)18(10)29-8/h1-3,9,13,16-17,19-24,26-28H,4H2/t9-,13-,16+,17-,19+/m0/s1
InChIKey LSYIVIDUPFBVAP-TUDWVQHOSA-N
Mol Weight 422.34 g/mol
Molecular Formula C19H18O11
Exact Mass 422.084911 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID GkbujkB0cZB
Name NIGRICANSIDE;2-BETA-D-GLUCOPYRANOSYL-1,3,5,8-TETRAHYDROXY-9H-XANTHENE-9-ONE
Compound Number 7
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C19H18O11
InChI InChI=1S/C19H18O11/c20-4-9-13(24)16(27)17(28)19(30-9)11-7(23)3-8-12(15(11)26)14(25)10-5(21)1-2-6(22)18(10)29-8/h1-3,9,13,16-17,19-24,26-28H,4H2/t9-,13-,16+,17-,19+/m0/s1
InChIKey LSYIVIDUPFBVAP-TUDWVQHOSA-N
Literature Reference Author S.AL-KHALIL,H.TOSA,M.IINUMA
Literature Reference Citation PHYTOCHEM.,38,729(1995)
Literature Reference DOI 10.1016/0031-9422(94)00641-6
Molecular Weight 422.345 g/mol
Solvent DMSO-D6
Source File Reference UWMS3687