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N-(BENZYLOXYCARBONYL)-O-(2-ACETAMIDO-3,4,6-TRI-O-ACETYL-2-DEOXY-ALPHA-D-GALACTOPYRANOSYL)-L-THREONINE-(METHOXYETHOXY)-ETHYLESTER

View entire compound with spectra: 1 NMR

N-(BENZYLOXYCARBONYL)-O-(2-ACETAMIDO-3,4,6-TRI-O-ACETYL-2-DEOXY-ALPHA-D-GALACTOPYRANOSYL)-L-THREONINE-(METHOXYETHOXY)-ETHYLESTER
SpectraBase Compound ID GvS5jrIcmni
InChI InChI=1S/C31H44N2O15/c1-18(25(29(38)42-15-14-41-13-12-40-6)33-31(39)44-16-23-10-8-7-9-11-23)45-30-26(32-19(2)34)28(47-22(5)37)27(46-21(4)36)24(48-30)17-43-20(3)35/h7-11,18,24-28,30H,12-17H2,1-6H3,(H,32,34)(H,33,39)/t18?,24-,25-,26-,27+,28-,30+/m0/s1
InChIKey HHTNYNQVLFEBGI-HCZLZDOUSA-N
Mol Weight 684.7 g/mol
Molecular Formula C31H44N2O15
Exact Mass 684.274169 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Avqn1Cul0LQ
Name N-(BENZYLOXYCARBONYL)-O-(2-ACETAMIDO-3,4,6-TRI-O-ACETYL-2-DEOXY-ALPHA-D-GALACTOPYRANOSYL)-L-THREONINE-(METHOXYETHOXY)-ETHYLESTER
Compound Number 7C
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C31H44N2O15
InChI InChI=1S/C31H44N2O15/c1-18(25(29(38)42-15-14-41-13-12-40-6)33-31(39)44-16-23-10-8-7-9-11-23)45-30-26(32-19(2)34)28(47-22(5)37)27(46-21(4)36)24(48-30)17-43-20(3)35/h7-11,18,24-28,30H,12-17H2,1-6H3,(H,32,34)(H,33,39)/t18?,24-,25-,26-,27+,28-,30+/m0/s1
InChIKey HHTNYNQVLFEBGI-HCZLZDOUSA-N
Literature Reference Author J.EBERLING,P.BRAUN,D.KOWALCZYK,M.SCHULTZ,H.KUNZ
Literature Reference Citation J.ORG.CHEM.,61,2638(1996)
Literature Reference DOI 10.1021/jo951899j
Molecular Weight 684.695 g/mol
Solvent CDCl3
Source File Reference UWCS21789