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D-(-)-fructose, pentaacetate, benzyloxime (isomer 1)
SpectraBase Compound ID GHNYsSfnUEZ
InChI InChI=1S/C23H29NO11/c1-14(25)30-12-20(24-32-11-19-9-7-6-8-10-19)22(34-17(4)28)23(35-18(5)29)21(33-16(3)27)13-31-15(2)26/h6-10,21-23H,11-13H2,1-5H3/b24-20+/t21-,22-,23-/m1/s1
InChIKey SAWPFTSVIQTCGL-JKQWDUFESA-N
Mol Weight 495.48 g/mol
Molecular Formula C23H29NO11
Exact Mass 495.174061 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1D6dwQ7DBhn
Name D-(-)-fructose, pentaacetate, benzyloxime (isomer 1)
Comments Computed using HOSE algorithm
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Exact Mass 495.174060747 u
Formula C23H29NO11
InChI InChI=1S/C23H29NO11/c1-14(25)30-12-20(24-32-11-19-9-7-6-8-10-19)22(34-17(4)28)23(35-18(5)29)21(33-16(3)27)13-31-15(2)26/h6-10,21-23H,11-13H2,1-5H3/b24-20+/t21-,22-,23-/m1/s1
InChIKey SAWPFTSVIQTCGL-JKQWDUFESA-N
Molecular Weight 495.481 g/mol
SMILES C(\C(=N/OCC1=CC=CC=C1)[C@](OC(C)=O)([H])[C@]([H])(OC(C)=O)[C@]([H])(OC(C)=O)COC(C)=O)OC(C)=O