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beta-D-glucopyranosyl 1-seleno-beta-D-galactopyranoside, octaacetate

View entire compound with spectra: 2 NMR, and 2 FTIR

beta-D-glucopyranosyl 1-seleno-beta-D-galactopyranoside, octaacetate
SpectraBase Compound ID GOZmhLxDzCh
InChI InChI=1S/C28H38O18Se/c1-11(29)37-9-19-21(39-13(3)31)23(41-15(5)33)25(43-17(7)35)27(45-19)47-28-26(44-18(8)36)24(42-16(6)34)22(40-14(4)32)20(46-28)10-38-12(2)30/h19-28H,9-10H2,1-8H3/t19-,20-,21-,22+,23+,24+,25-,26-,27+,28+/m1/s1
InChIKey MGEIAGIIGYVGKH-VCXZOCJJSA-N
Mol Weight 741.6 g/mol
Molecular Formula C28H38O18Se
Exact Mass 742.122336 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID JALSZN52c7A
Name beta-D-Glucopyranosyl 1-seleno-beta-D-galactopyranoside, octaacetate
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 742.122336366 u
Formula C28H38O18Se
InChI InChI=1S/C28H38O18Se/c1-11(29)37-9-19-21(39-13(3)31)23(41-15(5)33)25(43-17(7)35)27(45-19)47-28-26(44-18(8)36)24(42-16(6)34)22(40-14(4)32)20(46-28)10-38-12(2)30/h19-28H,9-10H2,1-8H3/t19-,20-,21-,22+,23+,24+,25-,26-,27+,28+/m1/s1
InChIKey MGEIAGIIGYVGKH-VCXZOCJJSA-N
Molecular Weight 741.566 g/mol
SMILES [C@@]1(O[C@@]([C@]([C@@]([C@]1(OC(C)=O)[H])(OC(C)=O)[H])(OC(C)=O)[H])(COC(=O)C)[H])([Se][C@]1([C@@]([C@]([C@]([C@](O1)(COC(=O)C)[H])(OC(C)=O)[H])(OC(C)=O)[H])(OC(C)=O)[H])[H])[H]