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1-N-BENZYL-3'-O-BETA-D-(2'',3'',4'',6''-TETRA-O-BENZYLGLUCOPYRANOSYL)-INOSINE

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1-N-BENZYL-3'-O-BETA-D-(2'',3'',4'',6''-TETRA-O-BENZYLGLUCOPYRANOSYL)-INOSINE
SpectraBase Compound ID FbCyXpUFX3j
InChI InChI=1S/C51H52N4O10/c56-27-40-44(43(57)50(63-40)55-34-52-42-48(55)53-33-54(49(42)58)26-35-16-6-1-7-17-35)65-51-47(62-31-39-24-14-5-15-25-39)46(61-30-38-22-12-4-13-23-38)45(60-29-37-20-10-3-11-21-37)41(64-51)32-59-28-36-18-8-2-9-19-36/h1-25,33-34,40-41,43-47,50-51,56-57H,26-32H2/t40-,41-,43-,44-,45-,46+,47-,50-,51+/m1/s1
InChIKey MVEXCXWACKHJMD-XCMKGYRUSA-N
Mol Weight 881.0 g/mol
Molecular Formula C51H52N4O10
Exact Mass 880.368344 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID G1lLnS4xc4L
Name 1-N-BENZYL-3'-O-BETA-D-(2'',3'',4'',6''-TETRA-O-BENZYLGLUCOPYRANOSYL)-INOSINE
Compound Number 8
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C51H52N4O10
InChI InChI=1S/C51H52N4O10/c56-27-40-44(43(57)50(63-40)55-34-52-42-48(55)53-33-54(49(42)58)26-35-16-6-1-7-17-35)65-51-47(62-31-39-24-14-5-15-25-39)46(61-30-38-22-12-4-13-23-38)45(60-29-37-20-10-3-11-21-37)41(64-51)32-59-28-36-18-8-2-9-19-36/h1-25,33-34,40-41,43-47,50-51,56-57H,26-32H2/t40-,41-,43-,44-,45-,46+,47-,50-,51+/m1/s1
InChIKey MVEXCXWACKHJMD-XCMKGYRUSA-N
Literature Reference Author S.H.KIM,S.M.YOO,I.S.PARK,Y.H.KIM
Literature Reference Citation J.NAT.PROD.,63,1188(2000)
Literature Reference DOI 10.1021/np0000724
Molecular Weight 880.995 g/mol
Solvent CDCl3
Source File Reference UWGE4030