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.alpha.-D-Fructopyranoside, methyl, tetrakis(4-nitrobenzoate)

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.alpha.-D-Fructopyranoside, methyl, tetrakis(4-nitrobenzoate)
SpectraBase Compound ID 70KFT7kkCs8
InChI InChI=1S/C35H26N4O18/c1-52-35(19-53-31(40)20-2-10-24(11-3-20)36(44)45)30(57-34(43)23-8-16-27(17-9-23)39(50)51)29(56-33(42)22-6-14-26(15-7-22)38(48)49)28(18-54-35)55-32(41)21-4-12-25(13-5-21)37(46)47/h2-17,28-30H,18-19H2,1H3/t28-,29-,30+,35+/m1/s1
InChIKey GPOFYJOPDNEYFG-CBTPHDETSA-N
Mol Weight 790.6 g/mol
Molecular Formula C35H26N4O18
Exact Mass 790.12421 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID JS1mBJCoKuV
Name .alpha.-D-Fructopyranoside, methyl, tetrakis(4-nitrobenzoate)
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 790.124209995 u
Formula C35H26N4O18
InChI InChI=1S/C35H26N4O18/c1-52-35(19-53-31(40)20-2-10-24(11-3-20)36(44)45)30(57-34(43)23-8-16-27(17-9-23)39(50)51)29(56-33(42)22-6-14-26(15-7-22)38(48)49)28(18-54-35)55-32(41)21-4-12-25(13-5-21)37(46)47/h2-17,28-30H,18-19H2,1H3/t28-,29-,30+,35+/m1/s1
InChIKey GPOFYJOPDNEYFG-CBTPHDETSA-N
Molecular Weight 790.603 g/mol
SMILES [C@]1([C@](OC(C=2C=CC(N(=O)=O)=CC2)=O)([C@](OC(C2=CC=C(N(=O)=O)C=C2)=O)(CO[C@]1(COC(C1=CC=C(N(=O)=O)C=C1)=O)OC)[H])[H])(OC(C1=CC=C(N(=O)=O)C=C1)=O)[H]