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(7R)-Benzyl-6-deoxy-6-diethyl-(1'-fluoro)-PHOSPHONOMETHYL2,3,4-tri-o-benzyl-beta-D-glucopyranoside;first-eluting-diastereomer

View entire compound with spectra: 5 NMR

(7R)-Benzyl-6-deoxy-6-diethyl-(1'-fluoro)-PHOSPHONOMETHYL2,3,4-tri-o-benzyl-beta-D-glucopyranoside;first-eluting-diastereomer
SpectraBase Compound ID JtwAcqWuuUQ
InChI InChI=1S/C40H48FO8P/c1-3-47-50(42,48-4-2)37(41)25-35-38(44-27-32-19-11-6-12-20-32)40(46-29-34-23-15-8-16-24-34)39(45-28-33-21-13-7-14-22-33)36(49-35)30-43-26-31-17-9-5-10-18-31/h5-24,35-40H,3-4,25-30H2,1-2H3/t35-,36+,37?,38-,39+,40+/m0/s1
InChIKey DGFMEOBTQDWKEW-UTBURPSKSA-N
Mol Weight 706.8 g/mol
Molecular Formula C40H48FO8P
Exact Mass 706.307084 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5qJT3oEvJ3f
Name (7R)-Benzyl-6-deoxy-6-diethyl-(1'-fluoro)-PHOSPHONOMETHYL2,3,4-tri-o-benzyl-beta-D-glucopyranoside;first-eluting-diastereomer
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 706.307083659 u
Formula C40H48FO8P
InChI InChI=1S/C40H48FO8P/c1-3-47-50(42,48-4-2)37(41)25-35-38(44-27-32-19-11-6-12-20-32)40(46-29-34-23-15-8-16-24-34)39(45-28-33-21-13-7-14-22-33)36(49-35)30-43-26-31-17-9-5-10-18-31/h5-24,35-40H,3-4,25-30H2,1-2H3/t35-,36+,37?,38-,39+,40+/m0/s1
InChIKey DGFMEOBTQDWKEW-UTBURPSKSA-N
Molecular Weight 706.788 g/mol
SMILES C(OP(=O)(OCC)C(F)C[C@]1([C@@]([C@]([C@@]([C@](O1)(COCC1=CC=CC=C1)[H])(OCC1=CC=CC=C1)[H])(OCC1=CC=CC=C1)[H])(OCC1=CC=CC=C1)[H])[H])C