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METHYL-(S-4-NITROBENZYL-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-NITROBENZYL-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 5IDmG7wOcL1
InChI InChI=1S/C27H34N2O14S/c1-14(30)28-23-21(40-16(3)32)11-27(26(35)38-6,44-13-19-7-9-20(10-8-19)29(36)37)43-25(23)24(42-18(5)34)22(41-17(4)33)12-39-15(2)31/h7-10,21-25H,11-13H2,1-6H3,(H,28,30)/t21-,22+,23+,24+,25+,27-/m0/s1
InChIKey VEMQZKZHLNARQU-NFIQMXJASA-N
Mol Weight 642.6 g/mol
Molecular Formula C27H34N2O14S
Exact Mass 642.173075 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID D9pd5pCYiSg
Name METHYL-(S-4-NITROBENZYL-5-ACETAMIDO-4,7,8,9-TETRA-O-ACETYL-3,5-DIDEOXY-2-THIO-D-GLYCERO-ALPHA-D-GALACTO-2-NONULOPYRANOSID)-ONATE
Compound Number 12
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C27H34N2O14S
InChI InChI=1S/C27H34N2O14S/c1-14(30)28-23-21(40-16(3)32)11-27(26(35)38-6,44-13-19-7-9-20(10-8-19)29(36)37)43-25(23)24(42-18(5)34)22(41-17(4)33)12-39-15(2)31/h7-10,21-25H,11-13H2,1-6H3,(H,28,30)/t21-,22+,23+,24+,25+,27-/m0/s1
InChIKey VEMQZKZHLNARQU-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 642.632 g/mol
Solvent CDCl3
Source File Reference UWVN20484