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1-Deoxy-1-piperidinocarbothioamido-.beta.-d-glucopyranose 2,3,4,6-tetraacetate
SpectraBase Compound ID 1kVe6exJi4x
InChI InChI=1S/C20H30N2O9S/c1-11(23)27-10-15-16(28-12(2)24)17(29-13(3)25)18(30-14(4)26)19(31-15)21-20(32)22-8-6-5-7-9-22/h15-19H,5-10H2,1-4H3,(H,21,32)/t15-,16-,17+,18-,19-/m1/s1
InChIKey YBVUXIUROMTIHE-UJWQCDCRSA-N
Mol Weight 474.53 g/mol
Molecular Formula C20H30N2O9S
Exact Mass 474.167202 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4qIqJ3JZudK
Name 1-Deoxy-1-piperidinocarbothioamido-.beta.-d-glucopyranose 2,3,4,6-tetraacetate
Alternate Name(s) 2,3,4,6-Tetra-O-acetyl-N-(1-piperidinylcarbothioyl)hexopyranosylamine Acetic acid [3,4,5-triacetyloxy-6-[[1-piperidinyl(sulfanylidene)methyl]amino]-2-oxanyl]methyl ester [3,4,5-triacetyloxy-6-(piperidine-1-carbothioylamino)oxan-2-yl]methyl acetate [3,4,5-triacetoxy-6-(piperidine-1-carbothioylamino)tetrahydropyran-2-yl]methyl acetate [3,4,5-triacetyloxy-6-(piperidin-1-ylcarbothioylamino)oxan-2-yl]methyl ethanoate Acetic acid [3,4,5-triacetoxy-6-(piperidine-1-carbothioylamino)tetrahydropyran-2-yl]methyl ester
CAS Registry Number 260350-47-8
Comments Structure changed after expert review
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H30N2O9S
InChI InChI=1S/C20H30N2O9S/c1-11(23)27-10-15-16(28-12(2)24)17(29-13(3)25)18(30-14(4)26)19(31-15)21-20(32)22-8-6-5-7-9-22/h15-19H,5-10H2,1-4H3,(H,21,32)/t15-,16-,17+,18-,19-/m1/s1
InChIKey YBVUXIUROMTIHE-UJWQCDCRSA-N
Molecular Weight 474.525 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)N1CCCCC1
SPLASH splash10-0006-9200000000-3c33c316c514461e5e24
Wiley ID 1470215