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Benzyl-6-deoxy-6-(1'-fluoro)-phenylsulfonylmethyl-2,3,4-tri-o-benzyl-beta-D-glucopyranoside

View entire compound with spectra: 3 NMR

Benzyl-6-deoxy-6-(1'-fluoro)-phenylsulfonylmethyl-2,3,4-tri-o-benzyl-beta-D-glucopyranoside
SpectraBase Compound ID HJbco8ixpQ2
InChI InChI=1S/C42H43FO7S/c43-39(51(44,45)36-24-14-5-15-25-36)26-37-40(47-28-33-18-8-2-9-19-33)42(49-30-35-22-12-4-13-23-35)41(48-29-34-20-10-3-11-21-34)38(50-37)31-46-27-32-16-6-1-7-17-32/h1-25,37-42H,26-31H2/t37-,38+,39?,40-,41+,42+/m0/s1
InChIKey MHOWOVMUVAKOPH-GNYZYDHSSA-N
Mol Weight 710.9 g/mol
Molecular Formula C42H43FO7S
Exact Mass 710.271353 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID BGqakfIheMO
Name Benzyl-6-deoxy-6-(1'-fluoro)-phenylsulfonylmethyl-2,3,4-tri-o-benzyl-beta-D-glucopyranoside
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 710.271353055 u
Formula C42H43FO7S
InChI InChI=1S/C42H43FO7S/c43-39(51(44,45)36-24-14-5-15-25-36)26-37-40(47-28-33-18-8-2-9-19-33)42(49-30-35-22-12-4-13-23-35)41(48-29-34-20-10-3-11-21-34)38(50-37)31-46-27-32-16-6-1-7-17-32/h1-25,37-42H,26-31H2/t37-,38+,39?,40-,41+,42+/m0/s1
InChIKey MHOWOVMUVAKOPH-GNYZYDHSSA-N
Molecular Weight 710.857 g/mol
SMILES C=1(S(=O)(=O)C(F)C[C@]2([C@@]([C@]([C@@]([C@](O2)(COCC2=CC=CC=C2)[H])(OCC2=CC=CC=C2)[H])(OCC2=CC=CC=C2)[H])(OCC2=CC=CC=C2)[H])[H])C=CC=CC1