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CHRYSOPHANOL_GLUCORONIDE
SpectraBase Compound ID Ibroney5jYQ
InChI InChI=1S/C21H18O10/c1-7-5-9-12(10(22)6-7)15(24)13-8(14(9)23)3-2-4-11(13)30-21-18(27)16(25)17(26)19(31-21)20(28)29/h2-6,16-19,21-22,25-27H,1H3,(H,28,29)/t16-,17-,18+,19-,21+/m1/s1
InChIKey LLBDMOMQVJJRNA-YRIDSSQKSA-N
Mol Weight 430.37 g/mol
Molecular Formula C21H18O10
Exact Mass 430.089997 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 73nwg4Z0r21
Name CHRYSOPHANOL_GLUCORONIDE
Compound Number 5
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C21H18O10
InChI InChI=1S/C21H18O10/c1-7-5-9-12(10(22)6-7)15(24)13-8(14(9)23)3-2-4-11(13)30-21-18(27)16(25)17(26)19(31-21)20(28)29/h2-6,16-19,21-22,25-27H,1H3,(H,28,29)/t16-,17-,18+,19-,21+/m1/s1
InChIKey LLBDMOMQVJJRNA-YRIDSSQKSA-N
Literature Reference Author H.P.FIEDLER,A.DIETER,T.A.M.GULDER,I.KAJAHN,A.HAMM,R.BROWN,A. L.JONES,M.GOODFELLOW
Literature Reference Citation J.ANTIBIOTICS,61,464(2008)
Literature Reference DOI 10.1038/ja.2008.63
Molecular Weight 430.368 g/mol
Solvent CD3OD
Source File Reference UWMB198