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METHYL-(ETHYL-2,3-DI-O-BENZYL-4-O-(6-O-ACETYL-2-AZIDO-3,4-DI-O-BENZYL-2-DEOXY-ALPHA-D-GLUCOPYRANOSYL)-1-THIO-BETA-D-GLUCOPYRANOSID)-URONATE
SpectraBase Compound ID 14pYkG0M2gX
InChI InChI=1S/C45H51N3O11S/c1-4-60-45-42(56-28-34-23-15-8-16-24-34)39(55-27-33-21-13-7-14-22-33)40(41(59-45)43(50)51-3)58-44-36(47-48-46)38(54-26-32-19-11-6-12-20-32)37(35(57-44)29-52-30(2)49)53-25-31-17-9-5-10-18-31/h5-24,35-42,44-45H,4,25-29H2,1-3H3/t35-,36-,37-,38-,39+,40+,41+,42-,44-,45+/m1/s1
InChIKey BWDNDALBTZITBY-TXHLHEQKSA-N
Mol Weight 842.0 g/mol
Molecular Formula C45H51N3O11S
Exact Mass 841.324431 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2KiBFJy7CAK
Name METHYL-(ETHYL-2,3-DI-O-BENZYL-4-O-(6-O-ACETYL-2-AZIDO-3,4-DI-O-BENZYL-2-DEOXY-ALPHA-D-GLUCOPYRANOSYL)-1-THIO-BETA-D-GLUCOPYRANOSID)-URONATE
Compound Number 48
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C45H51N3O11S
InChI InChI=1S/C45H51N3O11S/c1-4-60-45-42(56-28-34-23-15-8-16-24-34)39(55-27-33-21-13-7-14-22-33)40(41(59-45)43(50)51-3)58-44-36(47-48-46)38(54-26-32-19-11-6-12-20-32)37(35(57-44)29-52-30(2)49)53-25-31-17-9-5-10-18-31/h5-24,35-42,44-45H,4,25-29H2,1-3H3/t35-,36-,37-,38-,39+,40+,41+,42-,44-,45+/m1/s1
InChIKey BWDNDALBTZITBY-TXHLHEQKSA-N
Literature Reference Author L.J.V.D.BOS,J.D.C.CODEE,J.C.V.D.TOORN,T.J.BOLTJE,J.H.V.BOOM, H.S.OVERKLEEFT,G.A.V
Literature Reference Citation ORG.LETTERS,6,2165(2004)
Literature Reference DOI 10.1021/ol049380+
Molecular Weight 841.973 g/mol
Sample ID 38907
Solvent CDCl3