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N-[(Ethoxycarbonyl)methyl]-N'-[(2',3',4',6'-tetraacetyl)-.beta.-D-glucopyranosyl]thiourea
SpectraBase Compound ID 432gS15HhUi
InChI InChI=1S/C19H28N2O11S/c1-6-27-14(26)7-20-19(33)21-18-17(31-12(5)25)16(30-11(4)24)15(29-10(3)23)13(32-18)8-28-9(2)22/h13,15-18H,6-8H2,1-5H3,(H2,20,21,33)/t13-,15-,16+,17-,18-/m1/s1
InChIKey BLFIGUXENIYWFX-SOVHRIKKSA-N
Mol Weight 492.5 g/mol
Molecular Formula C19H28N2O11S
Exact Mass 492.141381 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID I7x3WVJKWph
Name N-[(Ethoxycarbonyl)methyl]-N'-[(2',3',4',6'-tetraacetyl)-.beta.-D-glucopyranosyl]thiourea
Alternate Name(s) 2,3,4-tri-C-acetyl-8-deoxy-N-{[(2-ethoxy-2-oxoethyl)amino]carbothioyl}-.beta.-D-gluco-octopyranosyl-7-uloseamine N-[(Ethoxycarbonyl)methyl]-N'-[(2',3',4',6'-O-tetraacetyl)-.beta.-D-glucopyranosyl]thiourea
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Formula C19H28N2O11S
InChI InChI=1S/C19H28N2O11S/c1-6-27-14(26)7-20-19(33)21-18-17(31-12(5)25)16(30-11(4)24)15(29-10(3)23)13(32-18)8-28-9(2)22/h13,15-18H,6-8H2,1-5H3,(H2,20,21,33)/t13-,15-,16+,17-,18-/m1/s1
InChIKey BLFIGUXENIYWFX-SOVHRIKKSA-N
Molecular Weight 492.496 g/mol
SMILES N([C@]1([C@@]([C@]([C@](OC(=O)C)([C@](O1)(COC(=O)C)[H])[H])(OC(=O)C)[H])(OC(=O)C)[H])[H])C(=S)NCC(=O)OCC
SPLASH splash10-0901-4951000000-aab00353ba3ee16229e2
Source of Spectrum Y4-86-662-3
Wiley ID 840433