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1-Deoxy-1-[3-(4-phenoxyphenyl)thioureido]-.beta.-d-glucopyranose 2,3,4,6-tetraacetate
SpectraBase Compound ID 3uNtUTzaEgm
InChI InChI=1S/C27H30N2O10S/c1-15(30)34-14-22-23(35-16(2)31)24(36-17(3)32)25(37-18(4)33)26(39-22)29-27(40)28-19-10-12-21(13-11-19)38-20-8-6-5-7-9-20/h5-13,22-26H,14H2,1-4H3,(H2,28,29,40)/t22-,23-,24+,25-,26-/m1/s1
InChIKey RPGZUPIDELFEPL-WSGIOKLISA-N
Mol Weight 574.6 g/mol
Molecular Formula C27H30N2O10S
Exact Mass 574.162116 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GB3LPc6TOmj
Name 1-Deoxy-1-[3-(4-phenoxyphenyl)thioureido]-.beta.-d-glucopyranose 2,3,4,6-tetraacetate
Comments Structure changed after expert review
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C27H30N2O10S
InChI InChI=1S/C27H30N2O10S/c1-15(30)34-14-22-23(35-16(2)31)24(36-17(3)32)25(37-18(4)33)26(39-22)29-27(40)28-19-10-12-21(13-11-19)38-20-8-6-5-7-9-20/h5-13,22-26H,14H2,1-4H3,(H2,28,29,40)/t22-,23-,24+,25-,26-/m1/s1
InChIKey RPGZUPIDELFEPL-WSGIOKLISA-N
Molecular Weight 574.601 g/mol
SMILES N([C@]1([C@@]([C@]([C@](OC(C)=O)([C@](O1)(COC(C)=O)[H])[H])(OC(C)=O)[H])(OC(C)=O)[H])[H])C(=S)Nc1ccc(cc1)Oc1ccccc1
SPLASH splash10-0006-9200000000-87c43ef7a20a1f99c084
Synonyms 2,3,4,6-Tetra-O-acetyl-N-[(4-phenoxyanilino)carbothioyl]hexopyranosylamine
Wiley ID 1470218