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8-METHOXYCARBONYLOCTYL-2-DEOXY-2-(1-DEOXY-1-TERT.-BUTOXYCARBONYLAMINOMETHYL-BETA-D-GLUCOHEXOPYRANOSYLURONAMIDE)-BETA-D-GLUCOPYRANOSIDE
SpectraBase Compound ID AY8CjUWDNCh
InChI InChI=1S/C28H50N2O14/c1-28(2,3)44-27(39)29-13-15-19(33)22(36)23(37)24(42-15)25(38)30-18-21(35)20(34)16(14-31)43-26(18)41-12-10-8-6-5-7-9-11-17(32)40-4/h15-16,18-24,26,31,33-37H,5-14H2,1-4H3,(H,29,39)(H,30,38)/t15-,16+,18+,19-,20+,21+,22+,23-,24-,26+/m0/s1
InChIKey UVWLGNMHZQQSAQ-ILWDLVKPSA-N
Mol Weight 638.7 g/mol
Molecular Formula C28H50N2O14
Exact Mass 638.326204 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2jpNBRdfyOC
Name 8-METHOXYCARBONYLOCTYL-2-DEOXY-2-(1-DEOXY-1-TERT.-BUTOXYCARBONYLAMINOMETHYL-BETA-D-GLUCOHEXOPYRANOSYLURONAMIDE)-BETA-D-GLUCOPYRANOSIDE
Compound Number 4J
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C28H50N2O14
InChI InChI=1S/C28H50N2O14/c1-28(2,3)44-27(39)29-13-15-19(33)22(36)23(37)24(42-15)25(38)30-18-21(35)20(34)16(14-31)43-26(18)41-12-10-8-6-5-7-9-11-17(32)40-4/h15-16,18-24,26,31,33-37H,5-14H2,1-4H3,(H,29,39)(H,30,38)/t15-,16+,18+,19-,20+,21+,22+,23-,24-,26+/m0/s1
InChIKey UVWLGNMHZQQSAQ-ILWDLVKPSA-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 638.710 g/mol
Solvent CD3OD
Source File Reference UWMS21987