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2,6-Anhydro-1,3,4-tri-o-benzyl-5-o-[tert-butyldimethylsilyl]-7,8,9-trideoxy-D-glycerol-L-gulo-nonitol
SpectraBase Compound ID DELwO8YrKQP
InChI InChI=1S/C36H50O6Si/c1-36(2,3)43(4,5)42-34-31(22-15-23-37)41-32(27-38-24-28-16-9-6-10-17-28)33(39-25-29-18-11-7-12-19-29)35(34)40-26-30-20-13-8-14-21-30/h6-14,16-21,31-35,37H,15,22-27H2,1-5H3/t31?,32-,33-,34+,35+/m1/s1
InChIKey DIYJVQAMPDKRPK-FXCRQIDTSA-N
Mol Weight 606.9 g/mol
Molecular Formula C36H50O6Si
Exact Mass 606.337666 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5IXy3e1S6cS
Name 2,6-Anhydro-1,3,4-tri-o-benzyl-5-o-[tert-butyldimethylsilyl]-7,8,9-trideoxy-D-glycerol-L-gulo-nonitol
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 606.337665859 u
Formula C36H50O6Si
InChI InChI=1S/C36H50O6Si/c1-36(2,3)43(4,5)42-34-31(22-15-23-37)41-32(27-38-24-28-16-9-6-10-17-28)33(39-25-29-18-11-7-12-19-29)35(34)40-26-30-20-13-8-14-21-30/h6-14,16-21,31-35,37H,15,22-27H2,1-5H3/t31?,32-,33-,34+,35+/m1/s1
InChIKey DIYJVQAMPDKRPK-FXCRQIDTSA-N
Molecular Weight 606.875 g/mol
SMILES [C@@]1([C@]([C@](OCC2=CC=CC=C2)([C@](OC1CCCO)(COCC1=CC=CC=C1)[H])[H])(OCC1=CC=CC=C1)[H])(O[Si](C(C)(C)C)(C)C)[H]