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BENZYL-2,3,5,6-TETRA-O-BENZOYL-BETA-D-GALACTOFURANOSYL-(1->3)-2-ACETAMIDO-2-DEOXY-ALPHA-D-GLUCOPYRANOSIDE
SpectraBase Compound ID YxA14P0Uuh
InChI InChI=1S/C49H47NO15/c1-30(52)50-38-41(39(53)36(27-51)61-48(38)59-28-31-17-7-2-8-18-31)65-49-43(63-47(57)35-25-15-6-16-26-35)42(62-46(56)34-23-13-5-14-24-34)40(64-49)37(60-45(55)33-21-11-4-12-22-33)29-58-44(54)32-19-9-3-10-20-32/h2-26,36-43,48-49,51,53H,27-29H2,1H3,(H,50,52)/t36-,37+,38-,39-,40+,41-,42+,43-,48+,49+/m1/s1
InChIKey LJNNNGPIVJLROA-QAQBWTFISA-N
Mol Weight 889.9 g/mol
Molecular Formula C49H47NO15
Exact Mass 889.29457 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Jh31vJJsfGQ
Name BENZYL-2,3,5,6-TETRA-O-BENZOYL-BETA-D-GALACTOFURANOSYL-(1->3)-2-ACETAMIDO-2-DEOXY-ALPHA-D-GLUCOPYRANOSIDE
Compound Number 8
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C49H47NO15
InChI InChI=1S/C49H47NO15/c1-30(52)50-38-41(39(53)36(27-51)61-48(38)59-28-31-17-7-2-8-18-31)65-49-43(63-47(57)35-25-15-6-16-26-35)42(62-46(56)34-23-13-5-14-24-34)40(64-49)37(60-45(55)33-21-11-4-12-22-33)29-58-44(54)32-19-9-3-10-20-32/h2-26,36-43,48-49,51,53H,27-29H2,1H3,(H,50,52)/t36-,37+,38-,39-,40+,41-,42+,43-,48+,49+/m1/s1
InChIKey LJNNNGPIVJLROA-QAQBWTFISA-N
Literature Reference Author C.GALLO-RODRIGUEZ,L.GANDOLFI,R.M.D.LEDERKREMER
Literature Reference Citation ORG.LETTERS,1,245(1999)
Literature Reference DOI 10.1021/ol9905811
Molecular Weight 889.910 g/mol
Solvent CDCl3
Source File Reference UWSI26134