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2-Deoxy-2-fluoro-3,4-di-o-pivaloyl-alpha-1-(diphenylphosphoryl)-L-fucopyranose
SpectraBase Compound ID B6lMDinlj6v
InChI InChI=1S/C28H36FO9P/c1-18-22(34-25(30)27(2,3)4)23(35-26(31)28(5,6)7)21(29)24(33-18)38-39(32,36-19-14-10-8-11-15-19)37-20-16-12-9-13-17-20/h8-18,21-24H,1-7H3/t18-,21-,22+,23-,24+/m1/s1
InChIKey IAXRRRMAQZROPH-MWFZDGHISA-N
Mol Weight 566.6 g/mol
Molecular Formula C28H36FO9P
Exact Mass 566.208098 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3l30yTzgeDX
Name 2-Deoxy-2-fluoro-3,4-di-o-pivaloyl-alpha-1-(diphenylphosphoryl)-L-fucopyranose
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 566.208097891 u
Formula C28H36FO9P
InChI InChI=1S/C28H36FO9P/c1-18-22(34-25(30)27(2,3)4)23(35-26(31)28(5,6)7)21(29)24(33-18)38-39(32,36-19-14-10-8-11-15-19)37-20-16-12-9-13-17-20/h8-18,21-24H,1-7H3/t18-,21-,22+,23-,24+/m1/s1
InChIKey IAXRRRMAQZROPH-MWFZDGHISA-N
Molecular Weight 566.559 g/mol
SMILES [C@@]1(F)([C@](OP(=O)(OC2=CC=CC=C2)OC2=CC=CC=C2)(O[C@@]([C@@]([C@@]1(OC(=O)C(C)(C)C)[H])(OC(=O)C(C)(C)C)[H])(C)[H])[H])[H]