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3,6-di-o-Acetyl-4-o-(2',3',4',6'-tetra-o-acetyl-alpha-D-glucopyranosyl)-2-deoxy-2-fluoro-beta-D-mannopyranoside

View entire compound with spectra: 2 NMR

3,6-di-o-Acetyl-4-o-(2',3',4',6'-tetra-o-acetyl-alpha-D-glucopyranosyl)-2-deoxy-2-fluoro-beta-D-mannopyranoside
SpectraBase Compound ID 3SCnuFZt1cW
InChI InChI=1S/C24H33FO16/c1-9(26)33-7-15-18(20(36-12(4)29)17(25)23(32)39-15)41-24-22(38-14(6)31)21(37-13(5)30)19(35-11(3)28)16(40-24)8-34-10(2)27/h15-24,32H,7-8H2,1-6H3/t15-,16-,17+,18-,19-,20-,21+,22-,23-,24-/m1/s1
InChIKey QWRKENLGYPOWJQ-KAKCUGOLSA-N
Mol Weight 596.5 g/mol
Molecular Formula C24H33FO16
Exact Mass 596.175263 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID I8dSAXsQJdK
Name 3,6-di-o-Acetyl-4-o-(2',3',4',6'-tetra-o-acetyl-alpha-D-glucopyranosyl)-2-deoxy-2-fluoro-beta-D-mannopyranoside
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 596.175263130 u
Formula C24H33FO16
InChI InChI=1S/C24H33FO16/c1-9(26)33-7-15-18(20(36-12(4)29)17(25)23(32)39-15)41-24-22(38-14(6)31)21(37-13(5)30)19(35-11(3)28)16(40-24)8-34-10(2)27/h15-24,32H,7-8H2,1-6H3/t15-,16-,17+,18-,19-,20-,21+,22-,23-,24-/m1/s1
InChIKey QWRKENLGYPOWJQ-KAKCUGOLSA-N
Molecular Weight 596.510 g/mol
SMILES [C@@]1(O[C@@]([C@]([C@@]([C@@]1(F)[H])(OC(=O)C)[H])(O[C@@]1([C@@]([C@]([C@@]([C@](O1)(COC(=O)C)[H])(OC(=O)C)[H])(OC(=O)C)[H])(OC(=O)C)[H])[H])[H])(COC(=O)C)[H])(O)[H]