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Dibutyl-2-o-pivaloyl-3,4,6-tri-o-benzyl-alpha-D-galactopyranoside-phosphate

View entire compound with spectra: 2 NMR

Dibutyl-2-o-pivaloyl-3,4,6-tri-o-benzyl-alpha-D-galactopyranoside-phosphate
SpectraBase Compound ID 8ShgtJaWbCy
InChI InChI=1S/C46H51O10P/c1-46(2,3)45(47)55-43-42(51-31-37-23-13-6-14-24-37)41(50-30-36-21-11-5-12-22-36)40(34-49-29-35-19-9-4-10-20-35)54-44(43)56-57(48,52-32-38-25-15-7-16-26-38)53-33-39-27-17-8-18-28-39/h4-28,40-44H,29-34H2,1-3H3/t40-,41+,42+,43-,44-/m0/s1
InChIKey UDILNSDGBUWCFV-RMSQJLIJSA-N
Mol Weight 794.9 g/mol
Molecular Formula C46H51O10P
Exact Mass 794.321985 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 56mCCOdCPpN
Name Dibutyl-2-o-pivaloyl-3,4,6-tri-o-benzyl-alpha-D-galactopyranoside-phosphate
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 794.321984830 u
Formula C46H51O10P
InChI InChI=1S/C46H51O10P/c1-46(2,3)45(47)55-43-42(51-31-37-23-13-6-14-24-37)41(50-30-36-21-11-5-12-22-36)40(34-49-29-35-19-9-4-10-20-35)54-44(43)56-57(48,52-32-38-25-15-7-16-26-38)53-33-39-27-17-8-18-28-39/h4-28,40-44H,29-34H2,1-3H3/t40-,41+,42+,43-,44-/m0/s1
InChIKey UDILNSDGBUWCFV-RMSQJLIJSA-N
Molecular Weight 794.878 g/mol
SMILES [C@@]1(O[C@]([C@]([C@]([C@@]1(OC(=O)C(C)(C)C)[H])(OCC1=CC=CC=C1)[H])(OCC1=CC=CC=C1)[H])(COCC1=CC=CC=C1)[H])(OP(=O)(OCC1=CC=CC=C1)OCC1=CC=CC=C1)[H]