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Methyl 4,6-o-benzylidene-3-o-cinnamyl-.alpha.-D-glucopyranoside
SpectraBase Compound ID AgOCafp1SJn
InChI InChI=1S/C23H26O6/c1-25-23-19(24)21(26-14-8-11-16-9-4-2-5-10-16)20-18(28-23)15-27-22(29-20)17-12-6-3-7-13-17/h2-13,18-24H,14-15H2,1H3/b11-8+/t18-,19-,20-,21-,22?,23+/m1/s1
InChIKey DUGVOSITGBILEM-SUCIEZNNSA-N
Mol Weight 398.46 g/mol
Molecular Formula C23H26O6
Exact Mass 398.172939 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID FDRgxqJOh6Z
Name Methyl 4,6-o-benzylidene-3-o-cinnamyl-.alpha.-D-glucopyranoside
Comments Computed using HOSE algorithm
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Exact Mass 398.172938551 u
Formula C23H26O6
InChI InChI=1S/C23H26O6/c1-25-23-19(24)21(26-14-8-11-16-9-4-2-5-10-16)20-18(28-23)15-27-22(29-20)17-12-6-3-7-13-17/h2-13,18-24H,14-15H2,1H3/b11-8+/t18-,19-,20-,21-,22?,23+/m1/s1
InChIKey DUGVOSITGBILEM-SUCIEZNNSA-N
Molecular Weight 398.455 g/mol
SMILES [C@]12(OC(C=3C=CC=CC3)OC[C@]1(O[C@](OC)([C@@]([C@]2(OC\C=C\C1=CC=CC=C1)[H])(O)[H])[H])[H])[H]