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Tetraacetyl-benzyl-.beta.-D-glucoside

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Tetraacetyl-benzyl-.beta.-D-glucoside
SpectraBase Compound ID 6wpzY2XLLtm
InChI InChI=1S/C21H26O10/c1-12(22)27-11-17-18(28-13(2)23)19(29-14(3)24)20(30-15(4)25)21(26,31-17)10-16-8-6-5-7-9-16/h5-9,17-20,26H,10-11H2,1-4H3/t17-,18+,19-,20-,21+/m0/s1
InChIKey QPJPTQYVYJMYJH-HGJUEJDCSA-N
Mol Weight 438.43 g/mol
Molecular Formula C21H26O10
Exact Mass 438.152597 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID ImLIhQE5Vnv
Name Tetraacetyl-benzyl-.beta.-D-glucoside
Comments Computed using HOSE algorithm
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Exact Mass 438.152597027 u
Formula C21H26O10
InChI InChI=1S/C21H26O10/c1-12(22)27-11-17-18(28-13(2)23)19(29-14(3)24)20(30-15(4)25)21(26,31-17)10-16-8-6-5-7-9-16/h5-9,17-20,26H,10-11H2,1-4H3/t17-,18+,19-,20-,21+/m0/s1
InChIKey QPJPTQYVYJMYJH-HGJUEJDCSA-N
Molecular Weight 438.429 g/mol
SMILES [C@@]1([C@@](O[C@]([C@]([C@]1(OC(C)=O)[H])(OC(C)=O)[H])(O)CC1=CC=CC=C1)(COC(C)=O)[H])(OC(C)=O)[H]