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PRECHRYSOPHANOL_GLUCURONIDE

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PRECHRYSOPHANOL_GLUCURONIDE
SpectraBase Compound ID JiT53IJ4LHr
InChI InChI=1S/C21H22O10/c1-21(29)6-9-5-8-3-2-4-11(13(8)14(23)12(9)10(22)7-21)30-20-17(26)15(24)16(25)18(31-20)19(27)28/h2-5,15-18,20,23-26,29H,6-7H2,1H3,(H,27,28)/t15-,16-,17+,18-,20+,21-/m1/s1
InChIKey OIQPSPHZBHMTHG-LRXQYKGQSA-N
Mol Weight 434.4 g/mol
Molecular Formula C21H22O10
Exact Mass 434.121297 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID YTcrjRyl2i
Name PRECHRYSOPHANOL_GLUCURONIDE
Compound Number 4
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C21H22O10
InChI InChI=1S/C21H22O10/c1-21(29)6-9-5-8-3-2-4-11(13(8)14(23)12(9)10(22)7-21)30-20-17(26)15(24)16(25)18(31-20)19(27)28/h2-5,15-18,20,23-26,29H,6-7H2,1H3,(H,27,28)/t15-,16-,17+,18-,20+,21-/m1/s1
InChIKey OIQPSPHZBHMTHG-LRXQYKGQSA-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 434.400 g/mol
Solvent CD3OD
Source File Reference UWMB197