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#35;DIMETHYL-4-AZIDO-2,3-DI-O-BENZYL-4-DEOXY-BETA-L-ARABINOPYRANOSYL-(1->8)-[(4,5,7,8-O-TETRA-O-ACETYL-3-DEOXY-ALPHA-D-MANNO-OCT-2-ULOPYRANOSIDE)-ONATE-(2->4)]
SpectraBase Compound ID 31debJJyZ5e
InChI InChI=1S/C48H61N3O22/c1-8-19-67-47(45(58)60-6)20-35(71-48(46(59)61-7)21-36(68-28(3)53)41(70-30(5)55)42(73-48)37(69-29(4)54)26-62-27(2)52)38(57)40(72-47)34(56)25-66-44-43(64-23-32-17-13-10-14-18-32)39(33(24-65-44)50-51-49)63-22-31-15-11-9-12-16-31/h8-18,33-44,56-57H,1,19-26H2,2-7H3/t33-,34+,35+,36-,37+,38+,39-,40+,41-,42-,43+,44+,47+,48-/m0/s1
InChIKey BCFMDLKUTIWHMY-MYHCIRGDSA-N
Mol Weight 1032.0 g/mol
Molecular Formula C48H61N3O22
Exact Mass 1031.374671 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4Qp2P9EPy1Y
Name #35;DIMETHYL-4-AZIDO-2,3-DI-O-BENZYL-4-DEOXY-BETA-L-ARABINOPYRANOSYL-(1->8)-[(4,5,7,8-O-TETRA-O-ACETYL-3-DEOXY-ALPHA-D-MANNO-OCT-2-ULOPYRANOSIDE)-ONATE-(2->4)]
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C48H61N3O22
InChI InChI=1S/C48H61N3O22/c1-8-19-67-47(45(58)60-6)20-35(71-48(46(59)61-7)21-36(68-28(3)53)41(70-30(5)55)42(73-48)37(69-29(4)54)26-62-27(2)52)38(57)40(72-47)34(56)25-66-44-43(64-23-32-17-13-10-14-18-32)39(33(24-65-44)50-51-49)63-22-31-15-11-9-12-16-31/h8-18,33-44,56-57H,1,19-26H2,2-7H3/t33-,34+,35+,36-,37+,38+,39-,40+,41-,42-,43+,44+,47+,48-/m0/s1
InChIKey BCFMDLKUTIWHMY-MYHCIRGDSA-N
Literature Reference Author M.BLAUKOPF,B.MUELLER,A.HOFINGER,P.KOSMA
Literature Reference Citation EUR.J.ORG.CHEM.,2012,119(2012)
Literature Reference DOI 10.1002/ejoc.201101171
Molecular Weight 1032.019 g/mol
Solvent CDCl3
Source File Reference UWLU83365