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acetic acid [(2R,3S,4R,5R,6S)-5-acetamido-2-(benzyloxymethyl)-6-[(2R,3S,4S,5R,6R)-3,5-bis(benzyloxy)-2-(benzyloxymethyl)-6-(2-trimethylsilylethoxy)tetrahydropyran-4-yl]oxy-3-(tert-butyl-dimethyl-silyl)oxy-tetrahydropyran-4-yl] ester
SpectraBase Compound ID 4PPJjaFmmgz
InChI InChI=1S/C55H77NO12Si2/c1-39(57)56-47-50(64-40(2)58)49(68-70(9,10)55(3,4)5)46(38-60-34-42-25-17-12-18-26-42)65-53(47)67-51-48(62-35-43-27-19-13-20-28-43)45(37-59-33-41-23-15-11-16-24-41)66-54(61-31-32-69(6,7)8)52(51)63-36-44-29-21-14-22-30-44/h11-30,45-54H,31-38H2,1-10H3,(H,56,57)/t45-,46-,47-,48+,49-,50-,51+,52-,53+,54-/m1/s1
InChIKey JGQGSPQKLWSELM-JEAIBGSLSA-N
Mol Weight 1000.4 g/mol
Molecular Formula C55H77NO12Si2
Exact Mass 999.49843 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Bj4pDRcs5Eg
Name acetic acid [(2R,3S,4R,5R,6S)-5-acetamido-2-(benzyloxymethyl)-6-[(2R,3S,4S,5R,6R)-3,5-bis(benzyloxy)-2-(benzyloxymethyl)-6-(2-trimethylsilylethoxy)tetrahydropyran-4-yl]oxy-3-(tert-butyl-dimethyl-silyl)oxy-tetrahydropyran-4-yl] ester
Compound Number 25
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C55H77NO12Si2
InChI InChI=1S/C55H77NO12Si2/c1-39(57)56-47-50(64-40(2)58)49(68-70(9,10)55(3,4)5)46(38-60-34-42-25-17-12-18-26-42)65-53(47)67-51-48(62-35-43-27-19-13-20-28-43)45(37-59-33-41-23-15-11-16-24-41)66-54(61-31-32-69(6,7)8)52(51)63-36-44-29-21-14-22-30-44/h11-30,45-54H,31-38H2,1-10H3,(H,56,57)/t45-,46-,47-,48+,49-,50-,51+,52-,53+,54-/m1/s1
InChIKey JGQGSPQKLWSELM-JEAIBGSLSA-N
Literature Reference Author J.HANSSON,P.J.GAREGG,S.OSCARSON
Literature Reference Citation J.ORG.CHEM.,66,6234(2001)
Literature Reference DOI 10.1021/jo001302m
Molecular Weight 1000.387 g/mol
Solvent CDCl3
Source File Reference UWVN24571