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#19;TERT.-BUTYLDIMETHYLSILYL-METHYL-[METHYL-(2-O-ACETYL-4-O-ALLYL-3-O-BENZYL-ALPHA-L-IDOPYRANOSID)-URONATE-(1->4)-2-N-ACETYLAMIDO-3,6-DI-O-BENZYL-2-DEOXY-ALPHA
SpectraBase Compound ID HPLE2W3ehWb
InChI InChI=1S/C65H83NO21Si/c1-13-34-76-52-53(78-37-46-30-22-16-23-31-46)58(80-42(4)69)63(85-56(52)60(71)73-9)83-50-48(39-75-35-44-26-18-14-19-27-44)82-62(49(66(40(2)67)41(3)68)51(50)77-36-45-28-20-15-21-29-45)84-55-54(79-38-47-32-24-17-25-33-47)59(81-43(5)70)64(86-57(55)61(72)74-10)87-88(11,12)65(6,7)8/h13-33,48-59,62-64H,1,34-39H2,2-12H3/t48-,49-,50-,51-,52+,53+,54+,55+,56-,57-,58-,59-,62-,63-,64-/m0/s1
InChIKey GSMFNUXILIJIIB-DSJLFQDQSA-N
Mol Weight 1242.4 g/mol
Molecular Formula C65H83NO21Si
Exact Mass 1241.522685 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5Nhv3O67tYo
Name #19;TERT.-BUTYLDIMETHYLSILYL-METHYL-[METHYL-(2-O-ACETYL-4-O-ALLYL-3-O-BENZYL-ALPHA-L-IDOPYRANOSID)-URONATE-(1->4)-2-N-ACETYLAMIDO-3,6-DI-O-BENZYL-2-DEOXY-ALPHA
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C65H83NO21Si
InChI InChI=1S/C65H83NO21Si/c1-13-34-76-52-53(78-37-46-30-22-16-23-31-46)58(80-42(4)69)63(85-56(52)60(71)73-9)83-50-48(39-75-35-44-26-18-14-19-27-44)82-62(49(66(40(2)67)41(3)68)51(50)77-36-45-28-20-15-21-29-45)84-55-54(79-38-47-32-24-17-25-33-47)59(81-43(5)70)64(86-57(55)61(72)74-10)87-88(11,12)65(6,7)8/h13-33,48-59,62-64H,1,34-39H2,2-12H3/t48-,49-,50-,51-,52+,53+,54+,55+,56-,57-,58-,59-,62-,63-,64-/m0/s1
InChIKey GSMFNUXILIJIIB-DSJLFQDQSA-N
Literature Reference Author G.J.S.LOHMAN,P.H.SEEBERGER
Literature Reference Citation J.ORG.CHEM.,69,4081(2004)
Literature Reference DOI 10.1021/jo035732z
Molecular Weight 1242.454 g/mol
Solvent CDCl3
Source File Reference UWVN21646