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L-Gulofuranose, 1-acetate 2,3,5,6-tetrabenzoate

View entire compound with spectra: 1 NMR, and 1 FTIR

L-Gulofuranose, 1-acetate 2,3,5,6-tetrabenzoate
SpectraBase Compound ID 2wldgCdszhy
InChI InChI=1S/C36H30O11/c1-23(37)43-36-31(46-35(41)27-20-12-5-13-21-27)30(45-34(40)26-18-10-4-11-19-26)29(47-36)28(44-33(39)25-16-8-3-9-17-25)22-42-32(38)24-14-6-2-7-15-24/h2-21,28-31,36H,22H2,1H3/t28-,29-,30+,31+,36?/m1/s1
InChIKey DHKYMCKGIPKWAT-HJXGLETNSA-N
Mol Weight 638.6 g/mol
Molecular Formula C36H30O11
Exact Mass 638.178812 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3q7QkbCJ2yB
Name L-Gulofuranose, 1-acetate 2,3,5,6-tetrabenzoate
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 638.178811775 u
Formula C36H30O11
InChI InChI=1S/C36H30O11/c1-23(37)43-36-31(46-35(41)27-20-12-5-13-21-27)30(45-34(40)26-18-10-4-11-19-26)29(47-36)28(44-33(39)25-16-8-3-9-17-25)22-42-32(38)24-14-6-2-7-15-24/h2-21,28-31,36H,22H2,1H3/t28-,29-,30+,31+,36?/m1/s1
InChIKey DHKYMCKGIPKWAT-HJXGLETNSA-N
Molecular Weight 638.625 g/mol
SMILES C1(O[C@@]([C@@]([C@@]1(OC(C=1C=CC=CC1)=O)[H])(OC(C=1C=CC=CC1)=O)[H])([C@](OC(C=1C=CC=CC1)=O)(COC(C=1C=CC=CC1)=O)[H])[H])OC(=O)C