John Wiley & Sons, Inc. SpectraBase; SpectraBase Compound ID=1I9BNBSYndx SpectraBase Spectrum ID=8KIJ279cHgc

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2-(2'-AZIPROPYLTHIOURENYL)-1,3-BIS-(2'',3'',4'',6''-TETRA-O-BENZOYL-ALPHA-D-MANNOPYRANOSYLOXY)-PROPANE
SpectraBase Compound ID 1I9BNBSYndx
InChI InChI=1S/C76H68N4O20S/c1-76(79-80-76)47-78-75(101)77-42-48(43-91-73-63(99-71(87)55-38-22-8-23-39-55)61(97-69(85)53-34-18-6-19-35-53)59(95-67(83)51-30-14-4-15-31-51)57(93-73)45-89-65(81)49-26-10-2-11-27-49)44-92-74-64(100-72(88)56-40-24-9-25-41-56)62(98-70(86)54-36-20-7-21-37-54)60(96-68(84)52-32-16-5-17-33-52)58(94-74)46-90-66(82)50-28-12-3-13-29-50/h2-41,48,57-64,73-74H,42-47H2,1H3,(H2,77,78,101)/t48?,57-,58+,59-,60+,61+,62-,63+,64-,73+,74-
InChIKey GVGQWWUCFKCSNV-WBFXCAPDSA-N
Mol Weight 1389.4 g/mol
Molecular Formula C76H68N4O20S
Exact Mass 1388.414763 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 8KIJ279cHgc
Name 2-(2'-AZIPROPYLTHIOURENYL)-1,3-BIS-(2'',3'',4'',6''-TETRA-O-BENZOYL-ALPHA-D-MANNOPYRANOSYLOXY)-PROPANE
Compound Number 12
Copyright Copyright © 2016-2021 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C76H68N4O20S
InChI InChI=1S/C76H68N4O20S/c1-76(79-80-76)47-78-75(101)77-42-48(43-91-73-63(99-71(87)55-38-22-8-23-39-55)61(97-69(85)53-34-18-6-19-35-53)59(95-67(83)51-30-14-4-15-31-51)57(93-73)45-89-65(81)49-26-10-2-11-27-49)44-92-74-64(100-72(88)56-40-24-9-25-41-56)62(98-70(86)54-36-20-7-21-37-54)60(96-68(84)52-32-16-5-17-33-52)58(94-74)46-90-66(82)50-28-12-3-13-29-50/h2-41,48,57-64,73-74H,42-47H2,1H3,(H2,77,78,101)/t48?,57-,58+,59-,60+,61+,62-,63+,64-,73+,74-
InChIKey GVGQWWUCFKCSNV-WBFXCAPDSA-N
Literature Reference Author M.WALTER,M.WIEGAND,T.K.LINDHORST
Literature Reference Citation EUR.J.ORG.CHEM.,719(2006)
Molecular Weight 1389.451 g/mol
Sample ID 43192
Solvent CDCl3
SpectraBase Batch ID D1tKxPakzTW