John Wiley & Sons, Inc. SpectraBase; SpectraBase Compound ID=K0QXgQuxEow SpectraBase Spectrum ID=8KJTT4qO3zW

(accessed ).
2,5-DIMETHYL-4-HYDROXY-3[2H]-FURANONE-BETA-D-GLUCURONIDE;DMHF-BETA-D-GLUCURONIDE;MIXTURE
SpectraBase Compound ID K0QXgQuxEow
InChI InChI=1S/2C12H16O9/c2*1-3-5(13)9(4(2)19-3)20-12-8(16)6(14)7(15)10(21-12)11(17)18/h2*3,6-8,10,12,14-16H,1-2H3,(H,17,18)/t2*3?,6-,7-,8+,10-,12+/m11/s1
InChIKey BYZPLICZWUIRAK-DPYNEGEGSA-N
Mol Weight 608.5 g/mol
Molecular Formula C24H32O18
Exact Mass 608.158865 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 8KJTT4qO3zW
Name 2,5-DIMETHYL-4-HYDROXY-3[2H]-FURANONE-BETA-D-GLUCURONIDE;DMHF-BETA-D-GLUCURONIDE;MIXTURE
Compound Number 5
Copyright Copyright © 2016-2021 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C24H32O18
InChI InChI=1S/2C12H16O9/c2*1-3-5(13)9(4(2)19-3)20-12-8(16)6(14)7(15)10(21-12)11(17)18/h2*3,6-8,10,12,14-16H,1-2H3,(H,17,18)/t2*3?,6-,7-,8+,10-,12+/m11/s1
InChIKey BYZPLICZWUIRAK-DPYNEGEGSA-N
Literature Reference Author R.ROSCHER,H.KOCH,M.HERDERICH,P.SCHREIER,W.SCHWAB
Literature Reference Citation FOOD.CHEM.TOX.,35,777(1997)
Literature Reference DOI 10.1016/s0278-6915(97)00055-0
Molecular Weight 608.507 g/mol
Source File Reference UWLU75270
SpectraBase Batch ID LVMwoR9Qe8Q