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1,6-Dihydro-5-[2"-(ethoxycarbonyl)viny]-2-(methylthio)-1-methyl-4-{[2',3',4'-tris( O-acetyl)-.beta.-D-xylopyranosyl]amino}-6-oxopyrimidine
SpectraBase Compound ID D6H0aPtEF8I
InChI InChI=1S/C22H29N3O10S/c1-7-31-16(29)9-8-14-19(24-22(36-6)25(5)21(14)30)23-20-18(35-13(4)28)17(34-12(3)27)15(10-32-20)33-11(2)26/h8-9,15,17-18,20,23H,7,10H2,1-6H3/b9-8+/t15-,17+,18-,20-/m1/s1
InChIKey BVBZVTWCLPUGOQ-YZLFROAZSA-N
Mol Weight 527.55 g/mol
Molecular Formula C22H29N3O10S
Exact Mass 527.157365 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KCI3nmp7smH
Name 1,6-Dihydro-5-[2"-(ethoxycarbonyl)viny]-2-(methylthio)-1-methyl-4-{[2',3',4'-tris( O-acetyl)-.beta.-D-xylopyranosyl]amino}-6-oxopyrimidine
Alternate Name(s) 1,6-Dihydro-5-[2''-(ethoxycarbonyl)viny]-2-(methylthio)-1-methyl-4-{[2',3',4'-tris(O-acetyl)-.beta.-D-xylopyranosyl]amino}-6-oxopyrimidine (E)-3-[1-methyl-2-(methylthio)-6-oxo-4-[(3,4,5-triacetyloxy-2-oxanyl)amino]-5-pyrimidinyl]-2-propenoic acid ethyl ester Ethyl (E)-3-[1-methyl-2-methylsulfanyl-6-oxo-4-[(3,4,5-triacetyloxyoxan-2-yl)amino]pyrimidin-5-yl]prop-2-enoate Ethyl (E)-3-[1-methyl-2-methylsulfanyl-6-oxo-4-[(3,4,5-triacetoxytetrahydropyran-2-yl)amino]pyrimidin-5-yl]prop-2-enoate Ethyl (E)-3-[1-methyl-2-methylsulfanyl-6-oxidanylidene-4-[(3,4,5-triacetyloxyoxan-2-yl)amino]pyrimidin-5-yl]prop-2-enoate
CAS Registry Number 121518-11-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H29N3O10S
InChI InChI=1S/C22H29N3O10S/c1-7-31-16(29)9-8-14-19(24-22(36-6)25(5)21(14)30)23-20-18(35-13(4)28)17(34-12(3)27)15(10-32-20)33-11(2)26/h8-9,15,17-18,20,23H,7,10H2,1-6H3/b9-8+/t15-,17+,18-,20-/m1/s1
InChIKey BVBZVTWCLPUGOQ-YZLFROAZSA-N
Molecular Weight 527.545 g/mol
SMILES N(C=1N=C(SC)N(C(C1\C=C\C(=O)OCC)=O)C)[C@]1([C@@]([C@@](OC(=O)C)([C@@](CO1)(OC(=O)C)[H])[H])(OC(=O)C)[H])[H]
SPLASH splash10-0002-6394100000-66268ab8e2a1d9b85344
Source of Spectrum Y4-86-280-3
Wiley ID 840447