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3-beta-D-glucopyranosyl-2-thio-2H-1,3-benzoxazine-2,4(3H)-dione, tetraacetate
SpectraBase Compound ID L6xnreW8v1C
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)21(33-16)23-20(28)14-7-5-6-8-15(14)34-22(23)35/h5-8,16-19,21H,9H2,1-4H3/t16-,17-,18+,19-,21-/m1/s1
InChIKey QBWXQKAKQZWQKG-GQUPQBGVSA-N
Mol Weight 509.48 g/mol
Molecular Formula C22H23NO11S
Exact Mass 509.099182 g/mol

Transmission Infrared (IR) Spectrum

Transmission Infrared (IR) Spectrum

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SpectraBase Spectrum ID 8oHcNP0OTpz
Name 3-beta-D-GLUCOPYRANOSYL-2-THIO-2H-1,3-BENZOXAZINE-2,4(3H)-DIONE, TETRAACETATE
Source of Sample G. Wagner, Karl-Marx University, Leipzig, Germany
Copyright Copyright © 1980, 1981-2024 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)21(33-16)23-20(28)14-7-5-6-8-15(14)34-22(23)35/h5-8,16-19,21H,9H2,1-4H3/t16-,17-,18+,19-,21-/m1/s1
InChIKey QBWXQKAKQZWQKG-GQUPQBGVSA-N
Literature Reference Abstract-Chemical Abstracts= 62, 16361(1965)
Melting Point 190-192C
Molecular Weight 509.481995
Optical Properties Optical Rotation= (20C) -49.5 DEG (c=3.0, CHLOROFORM)
Synonyms GLUCOPYRANOSE, 1-DEOXY-1-/3,4-DI- HYDRO-4-OXO-2-THIOXO-2H-1,3-BENZOXAZIN- 3-YL/-, TETRAACETATE, B-D-/MINUS/-, BENZOXAZINE-2,4/3H/-DIONE, 2H-1,3-, 3-B-D-GLUCOPYRANOSYL-2-THIO-, TETRA- ACETATE, /MINUS/-,
Technique KBr WAFER