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2,3,4-tri-O-benzyl-1-deoxy-1,1-ethylenedioxy-D-glucopyranose

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2,3,4-tri-O-benzyl-1-deoxy-1,1-ethylenedioxy-D-glucopyranose
SpectraBase Compound ID ETwRAoOjlhk
InChI InChI=1S/C29H32O7/c1-21-34-28-29(36-21,33-20-24-15-9-4-10-16-24)27(32-19-23-13-7-3-8-14-23)26(25(17-30)35-28)31-18-22-11-5-2-6-12-22/h2-16,21,25-28,30H,17-20H2,1H3/t21?,25-,26-,27+,28?,29+/m1/s1
InChIKey CNVROBPSZOGIGJ-OLXMUFOJSA-N
Mol Weight 492.6 g/mol
Molecular Formula C29H32O7
Exact Mass 492.214803 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID A93IDlYysJ9
Name 2,3,4-tri-o-Benzyl-1-deoxy-1,1-ethylenedioxy-D-glucopyranose
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 492.214803363 u
Formula C29H32O7
InChI InChI=1S/C29H32O7/c1-21-34-28-29(36-21,33-20-24-15-9-4-10-16-24)27(32-19-23-13-7-3-8-14-23)26(25(17-30)35-28)31-18-22-11-5-2-6-12-22/h2-16,21,25-28,30H,17-20H2,1H3/t21?,25-,26-,27+,28?,29+/m1/s1
InChIKey CNVROBPSZOGIGJ-OLXMUFOJSA-N
Molecular Weight 492.568 g/mol
SMILES [C@@]12([C@]([C@](OCC=3C=CC=CC3)([C@](OC1OC(O2)C)(CO)[H])[H])(OCC=1C=CC=CC1)[H])OCC=1C=CC=CC1