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3-beta-D-glucopyranosyl-4-thio-2H-1,3-benzoxazine-2,4(3H)-dione, tetrracetate
SpectraBase Compound ID 3rEvrgP2bnr
InChI InChI=1S/C22H23NO11S/c1-10(24)29-9-16-17(30-11(2)25)18(31-12(3)26)19(32-13(4)27)20(33-16)23-21(35)14-7-5-6-8-15(14)34-22(23)28/h5-8,16-20H,9H2,1-4H3/t16-,17-,18+,19-,20-/m1/s1
InChIKey WQGVDJANGURIIQ-OUUBHVDSSA-N
Mol Weight 509.48 g/mol
Molecular Formula C22H23NO11S
Exact Mass 509.099182 g/mol

1H Nuclear Magnetic Resonance (NMR) Chemical Shifts

1H Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9Q7j8FaLq6D
Name 3-beta-D-glucopyranosyl-4-thio-2H-1,3-benzoxazine-2,4(3H)-dione, tetrracetate
Source of Sample G. Wagner, Karl-Marx University, Leipzig, Germany
Copyright Copyright © 2009-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H23NO11S
InChI InChI=1S/C22H23NO11S/c1-10(24)29-9-16-17(30-11(2)25)18(31-12(3)26)19(32-13(4)27)20(33-16)23-21(35)14-7-5-6-8-15(14)34-22(23)28/h5-8,16-20H,9H2,1-4H3/t16-,17-,18+,19-,20-/m1/s1
InChIKey WQGVDJANGURIIQ-OUUBHVDSSA-N
Instrument Name Varian A-60
Sadtler NMR Number 5213M
Solvent CDCl3
Synonyms BENZOXAZINE-2,4/3H/-DIONE, 2H-1,3-, 3-B-D-GLUCOPYRANOSYL-4-THIO-, TETRA- ACETATE, /MINUS/-, GLUCOPYRANOSE, 1-DEOXY-1-/3,4-DI- HYDRO-2-OXO-4-THIOXO-2H-1,3-BENZOXAZIN- 3-YL/-, TETRAACETATE, B-D-/MINUS/-,