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#35-BETA;METHYL-2,3,6-TRI-O-BENZOYL-4-O-(2,3,4,TRI-O-BENZOYL-6-O-(METHYL-4,7,8,9-TETRA-O-ACETYL-N-ACETYL-ALPHA-D-NEURAMINATE-2-YL)-BETA-D-GALACTOPYRANOSYL)-BET
SpectraBase Compound ID GbbAW0LgBbJ
InChI InChI=1S/C75H75NO29/c1-42(77)76-57-53(94-44(3)79)38-75(74(88)90-7,105-61(57)58(96-46(5)81)54(95-45(4)80)39-91-43(2)78)93-41-56-59(99-67(83)48-28-16-9-17-29-48)62(100-68(84)49-30-18-10-19-31-49)65(103-71(87)52-36-24-13-25-37-52)73(98-56)104-60-55(40-92-66(82)47-26-14-8-15-27-47)97-72(89-6)64(102-70(86)51-34-22-12-23-35-51)63(60)101-69(85)50-32-20-11-21-33-50/h8-37,53-65,72-73H,38-41H2,1-7H3,(H,76,77)/t53-,54-,55-,56+,57+,58-,59-,60-,61+,62-,63+,64-,65+,72-,73-,75-/m0/s1
InChIKey MFMWSMWZHAYDNR-XWIMLMMQSA-N
Mol Weight 1454.4 g/mol
Molecular Formula C75H75NO29
Exact Mass 1453.442475 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID H0lYmRcg8n4
Name #35-BETA;METHYL-2,3,6-TRI-O-BENZOYL-4-O-(2,3,4,TRI-O-BENZOYL-6-O-(METHYL-4,7,8,9-TETRA-O-ACETYL-N-ACETYL-ALPHA-D-NEURAMINATE-2-YL)-BETA-D-GALACTOPYRANOSYL)-BET
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C75H75NO29
InChI InChI=1S/C75H75NO29/c1-42(77)76-57-53(94-44(3)79)38-75(74(88)90-7,105-61(57)58(96-46(5)81)54(95-45(4)80)39-91-43(2)78)93-41-56-59(99-67(83)48-28-16-9-17-29-48)62(100-68(84)49-30-18-10-19-31-49)65(103-71(87)52-36-24-13-25-37-52)73(98-56)104-60-55(40-92-66(82)47-26-14-8-15-27-47)97-72(89-6)64(102-70(86)51-34-22-12-23-35-51)63(60)101-69(85)50-32-20-11-21-33-50/h8-37,53-65,72-73H,38-41H2,1-7H3,(H,76,77)/t53-,54-,55-,56+,57+,58-,59-,60-,61+,62-,63+,64-,65+,72-,73-,75-/m0/s1
InChIKey MFMWSMWZHAYDNR-XWIMLMMQSA-N
Literature Reference Author L.A.J.M.SLIEDREGT,S.M.W.V.ROSSENBERG,R.AUTAR,A.R.P.M.VALENTI JN,G.A.V.D.MAREL,
Literature Reference Citation BIOORG.MED.CHEM.,9,85(2001)
Literature Reference DOI 10.1016/S0968-0896(00)00224-8
Molecular Weight 1454.410 g/mol
Solvent CDCl3
Source File Reference UWLU22010