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3-BENZYLOXYCARBONYLAMINOPROPYL-2-DEOXY-2-(1-DEOXY-1-TERT.-BUTOXYCARBONYLAMINOMETHYL-BETA-D-GLUCOHEXOPYRANOSYLURONAMIDE)-BETA-D-GLUCOPYRANOSIDE
SpectraBase Compound ID K4eQ7ehWqei
InChI InChI=1S/C29H45N3O14/c1-29(2,3)46-28(41)31-12-16-19(34)22(37)23(38)24(44-16)25(39)32-18-21(36)20(35)17(13-33)45-26(18)42-11-7-10-30-27(40)43-14-15-8-5-4-6-9-15/h4-6,8-9,16-24,26,33-38H,7,10-14H2,1-3H3,(H,30,40)(H,31,41)(H,32,39)/t16-,17+,18+,19-,20+,21+,22+,23-,24-,26+/m0/s1
InChIKey AZRXMVJQKKALQU-SCBRMVACSA-N
Mol Weight 659.7 g/mol
Molecular Formula C29H45N3O14
Exact Mass 659.290153 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID BPG1kMk805t
Name 3-BENZYLOXYCARBONYLAMINOPROPYL-2-DEOXY-2-(1-DEOXY-1-TERT.-BUTOXYCARBONYLAMINOMETHYL-BETA-D-GLUCOHEXOPYRANOSYLURONAMIDE)-BETA-D-GLUCOPYRANOSIDE
Compound Number 5J
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C29H45N3O14
InChI InChI=1S/C29H45N3O14/c1-29(2,3)46-28(41)31-12-16-19(34)22(37)23(38)24(44-16)25(39)32-18-21(36)20(35)17(13-33)45-26(18)42-11-7-10-30-27(40)43-14-15-8-5-4-6-9-15/h4-6,8-9,16-24,26,33-38H,7,10-14H2,1-3H3,(H,30,40)(H,31,41)(H,32,39)/t16-,17+,18+,19-,20+,21+,22+,23-,24-,26+/m0/s1
InChIKey AZRXMVJQKKALQU-SCBRMVACSA-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 659.688 g/mol
Solvent CD3OD
Source File Reference UWMS21989