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2-.beta.-D Glucosyloxy-4-methoxycinnamic acid, 5me derivative

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2-.beta.-D Glucosyloxy-4-methoxycinnamic acid, 5me derivative
SpectraBase Compound ID vwTXNfpcwa
InChI InChI=1S/C21H30O9/c1-23-12-16-18(26-4)19(27-5)20(28-6)21(30-16)29-15-11-14(24-2)9-7-13(15)8-10-17(22)25-3/h7-11,16,18-21H,12H2,1-6H3/b10-8+/t16-,18-,19+,20-,21-/m1/s1
InChIKey RQGXHNPIKODOAW-LNJXQNSSSA-N
Mol Weight 426.46 g/mol
Molecular Formula C21H30O9
Exact Mass 426.188983 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2btTAMrMbxe
Name 2-.beta.-D Glucosyloxy-4-methoxycinnamic acid, 5me derivative
Comments Computed using HOSE algorithm
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Exact Mass 426.188982537 u
Formula C21H30O9
InChI InChI=1S/C21H30O9/c1-23-12-16-18(26-4)19(27-5)20(28-6)21(30-16)29-15-11-14(24-2)9-7-13(15)8-10-17(22)25-3/h7-11,16,18-21H,12H2,1-6H3/b10-8+/t16-,18-,19+,20-,21-/m1/s1
InChIKey RQGXHNPIKODOAW-LNJXQNSSSA-N
Molecular Weight 426.462 g/mol
SMILES C(\C=C\C1=C(C=C(C=C1)OC)O[C@]1([C@](OC)([C@@](OC)([C@](OC)([C@](O1)(COC)[H])[H])[H])[H])[H])(=O)OC