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1-Deoxy-1-[3-(1-naphthyl)-2-thioureido]-.beta.-d-glucopyranose 2,3,4,6-tetraacetate
SpectraBase Compound ID 9Xii10eGXHI
InChI InChI=1S/C25H28N2O9S/c1-13(28)32-12-20-21(33-14(2)29)22(34-15(3)30)23(35-16(4)31)24(36-20)27-25(37)26-19-11-7-9-17-8-5-6-10-18(17)19/h5-11,20-24H,12H2,1-4H3,(H2,26,27,37)/t20-,21-,22+,23-,24-/m1/s1
InChIKey QMXHRZRGBPKKEW-GNADVCDUSA-N
Mol Weight 532.56 g/mol
Molecular Formula C25H28N2O9S
Exact Mass 532.151552 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6WclST87hup
Name 1-Deoxy-1-[3-(1-naphthyl)-2-thioureido]-.beta.-d-glucopyranose 2,3,4,6-tetraacetate
CAS Registry Number 341497-55-0
Comments Structure changed after expert review
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C25H28N2O9S
InChI InChI=1S/C25H28N2O9S/c1-13(28)32-12-20-21(33-14(2)29)22(34-15(3)30)23(35-16(4)31)24(36-20)27-25(37)26-19-11-7-9-17-8-5-6-10-18(17)19/h5-11,20-24H,12H2,1-4H3,(H2,26,27,37)/t20-,21-,22+,23-,24-/m1/s1
InChIKey QMXHRZRGBPKKEW-GNADVCDUSA-N
Molecular Weight 532.564 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)Nc1c2ccccc2ccc1
SPLASH splash10-0006-9300000000-accf837e7c190c045095
Synonyms 2,3,4,6-Tetra-O-acetyl-N-[(1-naphthylamino)carbothioyl]hexopyranosylamine 4,5-Diacetyloxy-6-(acetyloxymethyl)-2-{[(naphthylamino)thioxomethyl]amino}-2H- 3,4,5,6-tetrahydropyran-3-yl acetate Acetic acid [3,4,5-triacetyloxy-6-[[(1-naphthalenylamino)-sulfanylidenemethyl]amino]-2-oxanyl]methyl ester [3,4,5-triacetyloxy-6-(naphthalen-1-ylcarbamothioylamino)oxan-2-yl]methyl acetate [3,4,5-triacetoxy-6-(1-naphthylcarbamothioylamino)tetrahydropyran-2-yl]methyl acetate [3,4,5-triacetyloxy-6-(naphthalen-1-ylcarbamothioylamino)oxan-2-yl]methyl ethanoate Acetic acid [3,4,5-triacetoxy-6-(1-naphthylthiocarbamoylamino)tetrahydropyran-2-yl]methyl ester
Wiley ID 1470221