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#7J;3-BENZOXYCARBONYLAMINOPROPYL-BETA-D-GALACTOPYRANOSYL-(1->4)-2-DEOXY-2-(1-DEOXY-1-TERT.-BUTOXYCARBONYLAMINOMETHYL-BETA-D-GLUCOHEXOPYRANOSYLURONAMIDE)-BETA-
SpectraBase Compound ID D8oXgLt1XDr
InChI InChI=1S/C35H55N3O19/c1-35(2,3)57-34(50)37-12-17-21(41)24(44)26(46)29(53-17)30(48)38-20-23(43)28(56-32-27(47)25(45)22(42)18(13-39)54-32)19(14-40)55-31(20)51-11-7-10-36-33(49)52-15-16-8-5-4-6-9-16/h4-6,8-9,17-29,31-32,39-47H,7,10-15H2,1-3H3,(H,36,49)(H,37,50)(H,38,48)/t17-,18-,19-,20-,21-,22+,23-,24+,25+,26-,27-,28-,29-,31-,32+/m1/s1
InChIKey ZXGKSHCCBJMRBC-WGSXBQLMSA-N
Mol Weight 821.8 g/mol
Molecular Formula C35H55N3O19
Exact Mass 821.342977 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID BcD65yQJBAU
Name #7J;3-BENZOXYCARBONYLAMINOPROPYL-BETA-D-GALACTOPYRANOSYL-(1->4)-2-DEOXY-2-(1-DEOXY-1-TERT.-BUTOXYCARBONYLAMINOMETHYL-BETA-D-GLUCOHEXOPYRANOSYLURONAMIDE)-BETA-
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C35H55N3O19
InChI InChI=1S/C35H55N3O19/c1-35(2,3)57-34(50)37-12-17-21(41)24(44)26(46)29(53-17)30(48)38-20-23(43)28(56-32-27(47)25(45)22(42)18(13-39)54-32)19(14-40)55-31(20)51-11-7-10-36-33(49)52-15-16-8-5-4-6-9-16/h4-6,8-9,17-29,31-32,39-47H,7,10-15H2,1-3H3,(H,36,49)(H,37,50)(H,38,48)/t17-,18-,19-,20-,21-,22+,23-,24+,25+,26-,27-,28-,29-,31-,32+/m1/s1
InChIKey ZXGKSHCCBJMRBC-WGSXBQLMSA-N
Literature Reference Author O.SCHWARDT,G.BAISCH,R.OEHRLEIN
Literature Reference Citation BIOORG.MED.CHEM.,9,1857(2001)
Literature Reference DOI 10.1016/S0968-0896(01)00086-4
Molecular Weight 821.830 g/mol
Solvent D2O
Source File Reference UWMS22005