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4-Acetylphenyl-.beta.-D-2,3,4,6-tetracetylglucopyranoside
SpectraBase Compound ID 3efUcEPTlia
InChI InChI=1S/C22H26O11/c1-11(23)16-6-8-17(9-7-16)32-22-21(31-15(5)27)20(30-14(4)26)19(29-13(3)25)18(33-22)10-28-12(2)24/h6-9,18-22H,10H2,1-5H3
InChIKey DWFUJLNDNATWOD-UHFFFAOYSA-N
Mol Weight 466.44 g/mol
Molecular Formula C22H26O11
Exact Mass 466.147512 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID H41VHYxoOMd
Name 4-Acetylphenyl-.beta.-D-2,3,4,6-tetracetylglucopyranoside
Comments Computed using HOSE algorithm
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Exact Mass 466.147511646 u
Formula C22H26O11
InChI InChI=1S/C22H26O11/c1-11(23)16-6-8-17(9-7-16)32-22-21(31-15(5)27)20(30-14(4)26)19(29-13(3)25)18(33-22)10-28-12(2)24/h6-9,18-22H,10H2,1-5H3
InChIKey DWFUJLNDNATWOD-UHFFFAOYSA-N
Molecular Weight 466.439 g/mol
SMILES C1=C(C=CC(=C1)OC1OC(C(C(C1OC(=O)C)OC(C)=O)OC(C)=O)COC(C)=O)C(=O)C