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#22B;3-AZIDOPROPYL-[METHYL-4,7,8,9-TETRA-O-ACETYL-3,5-DIDEOXY-5-ACETAMIDO-D-GLYCERO-D-GALACTO-NON-2-ULOPYRANOSYL]-ONATE-(2->6)-O-2-ACETAMIDO-2-DEOXY-D-GALACTOP
SpectraBase Compound ID IIjQEjXwVV3
InChI InChI=1S/C31H47N5O18/c1-14(37)34-23-20(50-17(4)40)11-31(30(45)46-7,54-28(23)27(52-19(6)42)22(51-18(5)41)12-48-16(3)39)49-13-21-25(43)26(44)24(35-15(2)38)29(53-21)47-10-8-9-33-36-32/h20-29,43-44H,8-13H2,1-7H3,(H,34,37)(H,35,38)/t20-,21+,22+,23+,24+,25-,26+,27+,28+,29-,31+/m0/s1
InChIKey NIJUHSUNTFCXCS-NTSLNUMWSA-N
Mol Weight 777.7 g/mol
Molecular Formula C31H47N5O18
Exact Mass 777.29161 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3etg9CjGuvM
Name #22B;3-AZIDOPROPYL-[METHYL-4,7,8,9-TETRA-O-ACETYL-3,5-DIDEOXY-5-ACETAMIDO-D-GLYCERO-D-GALACTO-NON-2-ULOPYRANOSYL]-ONATE-(2->6)-O-2-ACETAMIDO-2-DEOXY-D-GALACTOP
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C31H47N5O18
InChI InChI=1S/C31H47N5O18/c1-14(37)34-23-20(50-17(4)40)11-31(30(45)46-7,54-28(23)27(52-19(6)42)22(51-18(5)41)12-48-16(3)39)49-13-21-25(43)26(44)24(35-15(2)38)29(53-21)47-10-8-9-33-36-32/h20-29,43-44H,8-13H2,1-7H3,(H,34,37)(H,35,38)/t20-,21+,22+,23+,24+,25-,26+,27+,28+,29-,31+/m0/s1
InChIKey NIJUHSUNTFCXCS-NTSLNUMWSA-N
Literature Reference Author D.BENITO-ALIFONSO,R.A.JONES,A.T.TRAN,H.WOODWARD,N.SMITH,M.V. GALAN
Literature Reference Citation BEIL.J.ORG.CHEM.,9,1867(2013)
Literature Reference DOI 10.3762/bjoc.9.218
Molecular Weight 777.737 g/mol
Solvent CD3OD
Source File Reference UWLU77516