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3,5-Bis-(2,3,4,6-tetra-O-acetyl-b-d-glucopyranosyl)-benzaldehyde

View entire compound with spectra: 2 NMR

3,5-Bis-(2,3,4,6-tetra-O-acetyl-b-d-glucopyranosyl)-benzaldehyde
SpectraBase Compound ID 21IOWc664lU
InChI InChI=1S/C35H42O21/c1-15(37)45-13-26-28(47-17(3)39)30(49-19(5)41)32(51-21(7)43)34(55-26)53-24-9-23(12-36)10-25(11-24)54-35-33(52-22(8)44)31(50-20(6)42)29(48-18(4)40)27(56-35)14-46-16(2)38/h9-12,26-35H,13-14H2,1-8H3/t26-,27-,28+,29+,30-,31-,32-,33-,34+,35+/m0/s1
InChIKey JCCCPYBEYWLGHV-ORHOPGNCSA-N
Mol Weight 798.7 g/mol
Molecular Formula C35H42O21
Exact Mass 798.221858 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Es5HnhrhzaN
Name 3,5-bis-(2,3,4,6-Tetra-o-acetyl-B-D-glucopyranosyl)-benzaldehyde
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 798.221858351 u
Formula C35H42O21
InChI InChI=1S/C35H42O21/c1-15(37)45-13-26-28(47-17(3)39)30(49-19(5)41)32(51-21(7)43)34(55-26)53-24-9-23(12-36)10-25(11-24)54-35-33(52-22(8)44)31(50-20(6)42)29(48-18(4)40)27(56-35)14-46-16(2)38/h9-12,26-35H,13-14H2,1-8H3/t26-,27-,28+,29+,30-,31-,32-,33-,34+,35+/m0/s1
InChIKey JCCCPYBEYWLGHV-ORHOPGNCSA-N
Molecular Weight 798.700 g/mol
SMILES [C@@]1([C@@](O[C@]([C@]([C@]1(OC(C)=O)[H])(OC(C)=O)[H])(Oc1cc(O[C@@]2(O[C@]([C@]([C@@]([C@@]2(OC(C)=O)[H])(OC(C)=O)[H])(OC(C)=O)[H])(COC(=O)C)[H])[H])cc(c1)C=O)[H])(COC(=O)C)[H])(OC(C)=O)[H]