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#11A;(2-METHYL-5-TERT.-BUTYLPHENYL)-(3,4,6-TRI-O-ACETYL-2-BENZYLOXYCARBONYLAMINO-2-DEOXY-BETA-D-GLUCOPYRANOSYL)-(1->4)-3-O-ACETYL-6-O-BENZYL-2-DEOXY-2-PHTHALIM
SpectraBase Compound ID 8jn1vfp9mxG
InChI InChI=1S/C54H60N2O16S/c1-30-23-24-37(54(6,7)8)25-42(30)73-52-44(56-49(61)38-21-15-16-22-39(38)50(56)62)48(69-34(5)60)46(40(71-52)28-64-26-35-17-11-9-12-18-35)72-51-43(55-53(63)66-27-36-19-13-10-14-20-36)47(68-33(4)59)45(67-32(3)58)41(70-51)29-65-31(2)57/h9-25,40-41,43-48,51-52H,26-29H2,1-8H3,(H,55,63)/t40-,41+,43+,44-,45+,46-,47+,48-,51-,52+/m0/s1
InChIKey UITKZAKKUBWWHS-PKQOHCJGSA-N
Mol Weight 1025.1 g/mol
Molecular Formula C54H60N2O16S
Exact Mass 1024.366355 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 7RjcBINvebf
Name #11A;(2-METHYL-5-TERT.-BUTYLPHENYL)-(3,4,6-TRI-O-ACETYL-2-BENZYLOXYCARBONYLAMINO-2-DEOXY-BETA-D-GLUCOPYRANOSYL)-(1->4)-3-O-ACETYL-6-O-BENZYL-2-DEOXY-2-PHTHALIM
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C54H60N2O16S
InChI InChI=1S/C54H60N2O16S/c1-30-23-24-37(54(6,7)8)25-42(30)73-52-44(56-49(61)38-21-15-16-22-39(38)50(56)62)48(69-34(5)60)46(40(71-52)28-64-26-35-17-11-9-12-18-35)72-51-43(55-53(63)66-27-36-19-13-10-14-20-36)47(68-33(4)59)45(67-32(3)58)41(70-51)29-65-31(2)57/h9-25,40-41,43-48,51-52H,26-29H2,1-8H3,(H,55,63)/t40-,41+,43+,44-,45+,46-,47+,48-,51-,52+/m0/s1
InChIKey UITKZAKKUBWWHS-PKQOHCJGSA-N
Literature Reference Author L.GILLARD,A.STEVENIN,I.SCHMITZ-AFONSO,B.VAUZEILLES,F.D.BOYER ,J.M.BEAU
Literature Reference Citation EUR.J.ORG.CHEM.,2013,7382(2013)
Literature Reference DOI 10.1002/ejoc.201301015
Molecular Weight 1025.134 g/mol
Solvent CD3CN
Source File Reference UWBT20599