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2-(3,4-Dimethoxyphenoxy)-6-[(3,4,5-trihydroxyoxan-2-yl)oxymethyl]oxane-3,4,5-triol, 6me derivative
SpectraBase Compound ID Ll2ZIFdFdc4
InChI InChI=1S/C25H40O12/c1-26-15-10-9-14(11-16(15)27-2)36-25-23(33-8)21(31-6)20(30-5)18(37-25)13-35-24-22(32-7)19(29-4)17(28-3)12-34-24/h9-11,17-25H,12-13H2,1-8H3
InChIKey XXCBROQWQVXXDG-UHFFFAOYSA-N
Mol Weight 532.6 g/mol
Molecular Formula C25H40O12
Exact Mass 532.251977 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID FQFwcQIq4O2
Name 2-(3,4-Dimethoxyphenoxy)-6-[(3,4,5-trihydroxyoxan-2-yl)oxymethyl]oxane-3,4,5-triol, 6me derivative
Comments Computed using HOSE algorithm
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Exact Mass 532.251976716 u
Formula C25H40O12
InChI InChI=1S/C25H40O12/c1-26-15-10-9-14(11-16(15)27-2)36-25-23(33-8)21(31-6)20(30-5)18(37-25)13-35-24-22(32-7)19(29-4)17(28-3)12-34-24/h9-11,17-25H,12-13H2,1-8H3
InChIKey XXCBROQWQVXXDG-UHFFFAOYSA-N
Molecular Weight 532.583 g/mol
SMILES C1(OC(C(C(C1OC)OC)OC)COC1OCC(C(C1OC)OC)OC)OC1=CC(=C(C=C1)OC)OC