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#7;PHENYL-O-(2,3,4,6-TETRA-O-BENZOYL-ALPHA-D-GALACTOPYRANOSYL)-(1->4)-O-(2,3,6-TRI-O-BENZOYL-BETA-D-GALACTOPYRANOSYL)-(1->4)-O-2,3,6-TRI-O-BENZOYL-1-THIO-D-GLU

View entire compound with spectra: 1 NMR

#7;PHENYL-O-(2,3,4,6-TETRA-O-BENZOYL-ALPHA-D-GALACTOPYRANOSYL)-(1->4)-O-(2,3,6-TRI-O-BENZOYL-BETA-D-GALACTOPYRANOSYL)-(1->4)-O-2,3,6-TRI-O-BENZOYL-1-THIO-D-GLU
SpectraBase Compound ID 3ip4o9dXt6A
InChI InChI=1S/C94H76O25S/c95-82(59-34-12-1-13-35-59)105-56-70-73(111-85(98)62-40-18-4-19-41-62)76(112-86(99)63-42-20-5-21-43-63)79(115-89(102)66-48-26-8-27-49-66)92(108-70)118-74-71(57-106-83(96)60-36-14-2-15-37-60)109-93(80(116-90(103)67-50-28-9-29-51-67)77(74)113-87(100)64-44-22-6-23-45-64)119-75-72(58-107-84(97)61-38-16-3-17-39-61)110-94(120-69-54-32-11-33-55-69)81(117-91(104)68-52-30-10-31-53-68)78(75)114-88(101)65-46-24-7-25-47-65/h1-55,70-81,92-94H,56-58H2/t70-,71-,72-,73+,74+,75-,76+,77+,78+,79-,80-,81-,92-,93+,94?/m0/s1
InChIKey GMTJQYHOPJXQRE-OGDZZWHXSA-N
Mol Weight 1637.7 g/mol
Molecular Formula C94H76O25S
Exact Mass 1636.439639 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID BEflBBEwY7k
Name #7;PHENYL-O-(2,3,4,6-TETRA-O-BENZOYL-ALPHA-D-GALACTOPYRANOSYL)-(1->4)-O-(2,3,6-TRI-O-BENZOYL-BETA-D-GALACTOPYRANOSYL)-(1->4)-O-2,3,6-TRI-O-BENZOYL-1-THIO-D-GLU
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C94H76O25S
InChI InChI=1S/C94H76O25S/c95-82(59-34-12-1-13-35-59)105-56-70-73(111-85(98)62-40-18-4-19-41-62)76(112-86(99)63-42-20-5-21-43-63)79(115-89(102)66-48-26-8-27-49-66)92(108-70)118-74-71(57-106-83(96)60-36-14-2-15-37-60)109-93(80(116-90(103)67-50-28-9-29-51-67)77(74)113-87(100)64-44-22-6-23-45-64)119-75-72(58-107-84(97)61-38-16-3-17-39-61)110-94(120-69-54-32-11-33-55-69)81(117-91(104)68-52-30-10-31-53-68)78(75)114-88(101)65-46-24-7-25-47-65/h1-55,70-81,92-94H,56-58H2/t70-,71-,72-,73+,74+,75-,76+,77+,78+,79-,80-,81-,92-,93+,94?/m0/s1
InChIKey GMTJQYHOPJXQRE-OGDZZWHXSA-N
Literature Reference Author J.M.GARGANO,T.NGO,J.Y.KIM,D.W.K.ACHESON,W.J.LEES
Literature Reference Citation J.AM.CHEM.SOC.,123,12909(2001)
Literature Reference DOI 10.1021/ja016305a
Molecular Weight 1637.682 g/mol
Solvent CDCl3
Source File Reference UWVN28222