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5-(2,3,4,6-Tetra-O-acetyl-.beta.-D-glucopyranosyl-1-thio)-4-chloro-1,2-dithiol-3-thione
SpectraBase Compound ID JcJpVEyK7C8
InChI InChI=1S/C17H19ClO9S4/c1-6(19)23-5-10-12(24-7(2)20)13(25-8(3)21)14(26-9(4)22)15(27-10)29-17-11(18)16(28)30-31-17/h10,12-15H,5H2,1-4H3/t10-,12-,13+,14-,15+/m1/s1
InChIKey YXIIIGYBHHEWLC-LFHLZQBKSA-N
Mol Weight 531.0 g/mol
Molecular Formula C17H19ClO9S4
Exact Mass 529.960045 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2AUibwFp2m
Name 5-(2,3,4,6-Tetra-O-acetyl-.beta.-D-glucopyranosyl-1-thio)-4-chloro-1,2-dithiol-3-thione
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H19ClO9S4
InChI InChI=1S/C17H19ClO9S4/c1-6(19)23-5-10-12(24-7(2)20)13(25-8(3)21)14(26-9(4)22)15(27-10)29-17-11(18)16(28)30-31-17/h10,12-15H,5H2,1-4H3/t10-,12-,13+,14-,15+/m1/s1
InChIKey YXIIIGYBHHEWLC-LFHLZQBKSA-N
Instrument Name AMD-604S??
Ionization Type EI
Molecular Weight 531.023 g/mol
Optical Rotation [a]D20 = -13.2 (c = 0.2, CHCl3)
SMILES [C@@]1([C@]([C@@]([C@]([C@](SC=2SSC(=S)C2Cl)(O1)[H])(OC(=O)C)[H])(OC(=O)C)[H])(OC(=O)C)[H])(COC(=O)C)[H]
SPLASH splash10-00kf-7902000000-1e6b9b3a4e0686a5e1e0
Source of Spectrum RU2534525C9
Thin-Layer Chromatography Rf = 0.32
Wiley ID 1852782