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Methyl pentaacetyl-.alpha.-D-gluco-heptuloside

View entire compound with spectra: 1 NMR

Methyl pentaacetyl-.alpha.-D-gluco-heptuloside
SpectraBase Compound ID EiH4pgXS6GG
InChI InChI=1S/C18H26O12/c1-9(19)25-7-14-15(27-11(3)21)16(28-12(4)22)17(29-13(5)23)18(24-6,30-14)8-26-10(2)20/h14-17H,7-8H2,1-6H3/t14-,15-,16+,17-,18+/m1/s1
InChIKey OVJNDRJMHQGDPA-SFFUCWETSA-N
Mol Weight 434.39 g/mol
Molecular Formula C18H26O12
Exact Mass 434.142426 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 7QJOXGKPUS
Name Methyl pentaacetyl-.alpha.-D-gluco-heptuloside
Comments Computed using HOSE algorithm
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Exact Mass 434.142426265 u
Formula C18H26O12
InChI InChI=1S/C18H26O12/c1-9(19)25-7-14-15(27-11(3)21)16(28-12(4)22)17(29-13(5)23)18(24-6,30-14)8-26-10(2)20/h14-17H,7-8H2,1-6H3/t14-,15-,16+,17-,18+/m1/s1
InChIKey OVJNDRJMHQGDPA-SFFUCWETSA-N
Molecular Weight 434.394 g/mol
SMILES [C@@]1([C@](O[C@]([C@@]([C@]1(OC(C)=O)[H])(OC(=O)C)[H])(COC(=O)C)OC)(COC(=O)C)[H])(OC(=O)C)[H]