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METHYL-(S-4-AMINOBENZYL-5-ACETAMIDO-4,7,8,9-TETRA-O-ACETYL-3,5-DIDEOXY-2-THIO-D-GLYCERO-ALPHA-D-GALACTO-2-NONULOPYRANOSID)-ONATE

View entire compound with spectra: 1 NMR

METHYL-(S-4-AMINOBENZYL-5-ACETAMIDO-4,7,8,9-TETRA-O-ACETYL-3,5-DIDEOXY-2-THIO-D-GLYCERO-ALPHA-D-GALACTO-2-NONULOPYRANOSID)-ONATE
SpectraBase Compound ID ITwKdTuARD7
InChI InChI=1S/C27H36N2O12S/c1-14(30)29-23-21(38-16(3)32)11-27(26(35)36-6,42-13-19-7-9-20(28)10-8-19)41-25(23)24(40-18(5)34)22(39-17(4)33)12-37-15(2)31/h7-10,21-25H,11-13,28H2,1-6H3,(H,29,30)/t21-,22+,23+,24+,25+,27-/m0/s1
InChIKey ZKZQZZOJKYRWHL-NFIQMXJASA-N
Mol Weight 612.6 g/mol
Molecular Formula C27H36N2O12S
Exact Mass 612.198896 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID ERuW2lw3w5u
Name METHYL-(S-4-AMINOBENZYL-5-ACETAMIDO-4,7,8,9-TETRA-O-ACETYL-3,5-DIDEOXY-2-THIO-D-GLYCERO-ALPHA-D-GALACTO-2-NONULOPYRANOSID)-ONATE
Compound Number 15
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C27H36N2O12S
InChI InChI=1S/C27H36N2O12S/c1-14(30)29-23-21(38-16(3)32)11-27(26(35)36-6,42-13-19-7-9-20(28)10-8-19)41-25(23)24(40-18(5)34)22(39-17(4)33)12-37-15(2)31/h7-10,21-25H,11-13,28H2,1-6H3,(H,29,30)/t21-,22+,23+,24+,25+,27-/m0/s1
InChIKey ZKZQZZOJKYRWHL-NFIQMXJASA-N
Literature Reference Author D.I.ANGUS,M.J.KIEFEL,M.V.ITZSTEIN
Literature Reference Citation BIOORG.MED.CHEM.,8,2709(2000)
Literature Reference DOI 10.1016/S0968-0896(00)00201-7
Molecular Weight 612.649 g/mol
Solvent CDCl3
Source File Reference UWVN20487