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#36-BETA;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)-BETA-D-GLU
SpectraBase Compound ID KB6JIzaO4oy
InChI InChI=1S/C74H72N4O28/c1-41(79)76-56-52(95-43(3)81)37-74(73(90)91-6,106-60(56)57(97-45(5)83)53(96-44(4)82)38-92-42(2)80)94-40-55-58(100-67(85)47-27-15-8-16-28-47)62(102-69(87)49-31-19-10-20-32-49)64(104-71(89)51-35-23-12-24-36-51)72(99-55)105-59-54(39-93-66(84)46-25-13-7-14-26-46)98-65(77-78-75)63(103-70(88)50-33-21-11-22-34-50)61(59)101-68(86)48-29-17-9-18-30-48/h7-36,52-65,72H,37-40H2,1-6H3,(H,76,79)/t52-,53-,54-,55+,56+,57-,58-,59-,60+,61+,62-,63-,64+,65-,72-,74-/m0/s1
InChIKey NDNWSOBJDXTUEN-ZSLOITEJSA-N
Mol Weight 1465.4 g/mol
Molecular Formula C74H72N4O28
Exact Mass 1464.433308 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9Op50gcMNz6
Name #36-BETA;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)-BETA-D-GLU
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C74H72N4O28
InChI InChI=1S/C74H72N4O28/c1-41(79)76-56-52(95-43(3)81)37-74(73(90)91-6,106-60(56)57(97-45(5)83)53(96-44(4)82)38-92-42(2)80)94-40-55-58(100-67(85)47-27-15-8-16-28-47)62(102-69(87)49-31-19-10-20-32-49)64(104-71(89)51-35-23-12-24-36-51)72(99-55)105-59-54(39-93-66(84)46-25-13-7-14-26-46)98-65(77-78-75)63(103-70(88)50-33-21-11-22-34-50)61(59)101-68(86)48-29-17-9-18-30-48/h7-36,52-65,72H,37-40H2,1-6H3,(H,76,79)/t52-,53-,54-,55+,56+,57-,58-,59-,60+,61+,62-,63-,64+,65-,72-,74-/m0/s1
InChIKey NDNWSOBJDXTUEN-ZSLOITEJSA-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 1465.396 g/mol
Solvent CDCl3
Source File Reference UWLU22011