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1,6-Dihydro-5-[2"-(ethoxycarbonyl)vinyl]-2-(methylthio)-4-{[2',3',4'-tris( O-acetyl)-.beta.-D-glucopyranosyl]amino}-6-oxopyrimidine
SpectraBase Compound ID JUkByNxLaD
InChI InChI=1S/C21H27N3O10S/c1-6-30-15(28)8-7-13-18(23-21(35-5)24-19(13)29)22-20-17(34-12(4)27)16(33-11(3)26)14(9-31-20)32-10(2)25/h7-8,14,16-17,20H,6,9H2,1-5H3,(H2,22,23,24,29)/b8-7+/t14-,16+,17-,20-/m1/s1
InChIKey OQLPKEANLDXSNH-LSUUNYHQSA-N
Mol Weight 513.52 g/mol
Molecular Formula C21H27N3O10S
Exact Mass 513.141715 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4fR1WbH5baR
Name 1,6-Dihydro-5-[2"-(ethoxycarbonyl)vinyl]-2-(methylthio)-4-{[2',3',4'-tris( O-acetyl)-.beta.-D-glucopyranosyl]amino}-6-oxopyrimidine
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H27N3O10S
InChI InChI=1S/C21H27N3O10S/c1-6-30-15(28)8-7-13-18(23-21(35-5)24-19(13)29)22-20-17(34-12(4)27)16(33-11(3)26)14(9-31-20)32-10(2)25/h7-8,14,16-17,20H,6,9H2,1-5H3,(H2,22,23,24,29)/b8-7+/t14-,16+,17-,20-/m1/s1
InChIKey OQLPKEANLDXSNH-LSUUNYHQSA-N
Molecular Weight 513.518 g/mol
SMILES N1C(=NC(=C(C1=O)\C=C\C(=O)OCC)N[C@]1([C@@]([C@@](OC(=O)C)([C@@](CO1)(OC(=O)C)[H])[H])(OC(=O)C)[H])[H])SC
SPLASH splash10-0002-8492000000-ec7627285f085848cf22
Source of Spectrum Y4-86-280-3
Synonyms 1,6-Dihydro-5-[2''-(ethoxycarbonyl)vinyl]-2-(methylthio)-4-{[2',3',4'-tris(O-acetyl)-.beta.-D-glucopyranosyl]amino}-6-oxopyrimidine
Wiley ID 840451