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beta-D-xylopyranosyl 1-seleno-beta-D-glucopyranoside, heptaacetate

View entire compound with spectra: 2 NMR, and 1 FTIR

beta-D-xylopyranosyl 1-seleno-beta-D-glucopyranoside, heptaacetate
SpectraBase Compound ID 1Lz0Jzh1Tr
InChI InChI=1S/C25H34O16Se/c1-10(26)33-8-18-19(36-12(3)28)21(38-14(5)30)23(40-16(7)32)25(41-18)42-24-22(39-15(6)31)20(37-13(4)29)17(9-34-24)35-11(2)27/h17-25H,8-9H2,1-7H3/t17-,18-,19-,20+,21+,22-,23-,24+,25+/m1/s1
InChIKey PEXXTGVUZFQOOV-PXFGZLCVSA-N
Mol Weight 669.5 g/mol
Molecular Formula C25H34O16Se
Exact Mass 670.101207 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID EBvSqGGHJM9
Name beta-D-Xylopyranosyl 1-seleno-beta-D-glucopyranoside, heptaacetate
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 670.101206999 u
Formula C25H34O16Se
InChI InChI=1S/C25H34O16Se/c1-10(26)33-8-18-19(36-12(3)28)21(38-14(5)30)23(40-16(7)32)25(41-18)42-24-22(39-15(6)31)20(37-13(4)29)17(9-34-24)35-11(2)27/h17-25H,8-9H2,1-7H3/t17-,18-,19-,20+,21+,22-,23-,24+,25+/m1/s1
InChIKey PEXXTGVUZFQOOV-PXFGZLCVSA-N
Molecular Weight 669.503 g/mol
SMILES [C@@]1(O[C@@]([C@]([C@@]([C@]1(OC(C)=O)[H])(OC(=O)C)[H])(OC(=O)C)[H])(COC(=O)C)[H])([Se][C@]1([C@@]([C@]([C@@](CO1)(OC(=O)C)[H])(OC(=O)C)[H])(OC(C)=O)[H])[H])[H]