For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
2,3,4,5,6-PENTA-O-ACETYL-1-O-(3,4,6-TRI-O-ACETYL-2-DEOXY-2-(2,4-DINITROPHENYLAMINO)-BETA-D-GLUCOPYRANOSYL)-D-MYO-INOSITOL
SpectraBase Compound ID 4QbqHOS1hCf
InChI InChI=1S/C34H41N3O22/c1-13(38)50-12-24-26(51-14(2)39)27(52-15(3)40)25(35-22-10-9-21(36(46)47)11-23(22)37(48)49)34(58-24)59-33-31(56-19(7)44)29(54-17(5)42)28(53-16(4)41)30(55-18(6)43)32(33)57-20(8)45/h9-11,24-35H,12H2,1-8H3/t24-,25-,26-,27-,28-,29-,30+,31-,32-,33-,34+/m1/s1
InChIKey HTQJJVCOSBQQPO-IVRMIIIYSA-N
Mol Weight 843.7 g/mol
Molecular Formula C34H41N3O22
Exact Mass 843.21817 g/mol
Enantiomer InChIKey HTQJJVCOSBQQPO-SHBMEIIQSA-N
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Solvent CDCl3
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Solvent CDCl3
  • 2,3,4,5,6-PENTA-O-ACETYL-1-O-(3,4,6-TRI-O-ACETYL-2-DEOXY-2-(2,4-DINITROPHENYLAMINO)-BETA-D-GLUCOPYRANOSYL)-L-MYO-INOSITOL
Title Journal or Book Year
Synthesis of mycothiol, 1D-1-O-(2-[N-acetyl-l-cysteinyl]amino-2-deoxy-α-d-glucopyranosyl)-myo-inositol, principal low molecular mass thiol in the actinomycetes Bioorganic & Medicinal Chemistry 2002

KnowItAll NMR Spectral Library

Author: Wiley

The KnowItAll NMR Spectral Library offers a comprehensive collection of NMR reference spectra, including NMR, CNMR, and XNMR, and covers a wide range of compounds including organics, polymers, monomers, metabolites, and more. Learn more.

Unknown Identification

Search your unknown spectrum against the world's largest collection of reference spectra

KnowItAll Campus Solutions

KnowItAll offers faculty and students at your school access to all the tools you need for spectral analysis and structure drawing & publishing! Plus, access the world's largest spectral library.