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METHYL_2,3,6-TRI-O-BENZYL-4-O-[3,4,6-TRI-O-ACETYL-2-DEOXY-2-(2,5-DIMETHYLPYRROL-1-YL)-BETA-D-GLUCOPYRANOSYL]-ALPHA-D-GLUCOPYRANOSIDE
SpectraBase Compound ID AYuMqlnLZTe
InChI InChI=1S/C61H67NO10/c1-44-34-35-45(2)62(44)54-57(67-39-49-28-16-7-17-29-49)55(66-38-48-26-14-6-15-27-48)52(42-64-36-46-22-10-4-11-23-46)70-60(54)72-56-53(43-65-37-47-24-12-5-13-25-47)71-61(63-3)59(69-41-51-32-20-9-21-33-51)58(56)68-40-50-30-18-8-19-31-50/h4-35,52-61H,36-43H2,1-3H3/t52-,53-,54-,55-,56-,57-,58+,59-,60+,61+/m0/s1
InChIKey SPVVRLCGKZJMJE-SFYWXYFLSA-N
Mol Weight 974.2 g/mol
Molecular Formula C61H67NO10
Exact Mass 973.476497 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID JQgIQVnARfQ
Name METHYL_2,3,6-TRI-O-BENZYL-4-O-[3,4,6-TRI-O-ACETYL-2-DEOXY-2-(2,5-DIMETHYLPYRROL-1-YL)-BETA-D-GLUCOPYRANOSYL]-ALPHA-D-GLUCOPYRANOSIDE
Compound Number 13
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C61H67NO10
InChI InChI=1S/C61H67NO10/c1-44-34-35-45(2)62(44)54-57(67-39-49-28-16-7-17-29-49)55(66-38-48-26-14-6-15-27-48)52(42-64-36-46-22-10-4-11-23-46)70-60(54)72-56-53(43-65-37-47-24-12-5-13-25-47)71-61(63-3)59(69-41-51-32-20-9-21-33-51)58(56)68-40-50-30-18-8-19-31-50/h4-35,52-61H,36-43H2,1-3H3/t52-,53-,54-,55-,56-,57-,58+,59-,60+,61+/m0/s1
InChIKey SPVVRLCGKZJMJE-SFYWXYFLSA-N
Literature Reference Author S.G.BOWERS,D.M.COE,G.J.BOONS
Literature Reference Citation J.ORG.CHEM.,63,4570(1998)
Literature Reference DOI 10.1021/jo9808728
Molecular Weight 974.204 g/mol
Sample ID 26068
Solvent CDCl3