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2,6-di-o-Acetyl-3,5-o-isopropylidene-1,1,6-tri-C-phenyl-D-glycero-D-gulo-hexitol

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2,6-di-o-Acetyl-3,5-o-isopropylidene-1,1,6-tri-C-phenyl-D-glycero-D-gulo-hexitol
SpectraBase Compound ID 75jmVXTUY3p
InChI InChI=1S/C31H34O8/c1-20(32)36-26(22-14-8-5-9-15-22)27-25(34)28(39-30(3,4)38-27)29(37-21(2)33)31(35,23-16-10-6-11-17-23)24-18-12-7-13-19-24/h5-19,25-29,34-35H,1-4H3/t25-,26-,27-,28+,29+/m0/s1
InChIKey ICAINVMHCAQCAU-OTJWULCMSA-N
Mol Weight 534.6 g/mol
Molecular Formula C31H34O8
Exact Mass 534.225368 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9xWnmt47KXT
Name 2,6-di-o-Acetyl-3,5-o-isopropylidene-1,1,6-tri-C-phenyl-D-glycero-D-gulo-hexitol
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 534.225368047 u
Formula C31H34O8
InChI InChI=1S/C31H34O8/c1-20(32)36-26(22-14-8-5-9-15-22)27-25(34)28(39-30(3,4)38-27)29(37-21(2)33)31(35,23-16-10-6-11-17-23)24-18-12-7-13-19-24/h5-19,25-29,34-35H,1-4H3/t25-,26-,27-,28+,29+/m0/s1
InChIKey ICAINVMHCAQCAU-OTJWULCMSA-N
Molecular Weight 534.605 g/mol
SMILES [C@@]1([C@](C(C2=CC=CC=C2)(C2=CC=CC=C2)O)(OC(=O)C)[H])([C@]([C@@]([C@@](OC(=O)C)(C2=CC=CC=C2)[H])(OC(O1)(C)C)[H])(O)[H])[H]