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1,6-Dihydro-5-[2"-(methoxycarbonyl)viny]-2-(methylthio)-1-methyl-4-{[2',3',4',6'-tetrakis( O-acetyl)-.beta.-D-xylopyranosyl]amino}-6-oxopyrimidine
SpectraBase Compound ID 3pC4MbTftwd
InChI InChI=1S/C24H31N3O12S/c1-11(28)35-10-16-18(36-12(2)29)19(37-13(3)30)20(38-14(4)31)22(39-16)25-21-15(8-9-17(32)34-6)23(33)27(5)24(26-21)40-7/h8-9,16,18-20,22,25H,10H2,1-7H3/b9-8+/t16-,18-,19+,20-,22-/m1/s1
InChIKey KVKUWOAVDVPGSU-CZBRZPGVSA-N
Mol Weight 585.58 g/mol
Molecular Formula C24H31N3O12S
Exact Mass 585.162845 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8G39sBTqdhe
Name 1,6-Dihydro-5-[2"-(methoxycarbonyl)viny]-2-(methylthio)-1-methyl-4-{[2',3',4',6'-tetrakis( O-acetyl)-.beta.-D-xylopyranosyl]amino}-6-oxopyrimidine
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Formula C24H31N3O12S
InChI InChI=1S/C24H31N3O12S/c1-11(28)35-10-16-18(36-12(2)29)19(37-13(3)30)20(38-14(4)31)22(39-16)25-21-15(8-9-17(32)34-6)23(33)27(5)24(26-21)40-7/h8-9,16,18-20,22,25H,10H2,1-7H3/b9-8+/t16-,18-,19+,20-,22-/m1/s1
InChIKey KVKUWOAVDVPGSU-CZBRZPGVSA-N
Molecular Weight 585.581 g/mol
SMILES N([C@]1([C@@]([C@@](OC(=O)C)([C@@]([C@](O1)(COC(=O)C)[H])(OC(=O)C)[H])[H])(OC(=O)C)[H])[H])C=1N=C(SC)N(C(C1\C=C\C(=O)OC)=O)C
SPLASH splash10-007a-2291000000-202ca6e610abe3d27c11
Source of Spectrum Y4-86-280-3
Synonyms 1,6-Dihydro-5-[2''-(methoxycarbonyl)viny]-2-(methylthio)-1-methyl-4-{[2',3',4',6'-tetrakis(O-acetyl)-.beta.-D-xylopyranosyl]amino}-6-oxopyrimidine (E)-3-[1-methyl-2-(methylthio)-6-oxo-4-[[3,4,5-triacetyloxy-6-(acetyloxymethyl)-2-oxanyl]amino]-5-pyrimidinyl]-2-propenoic acid methyl ester Methyl (E)-3-[1-methyl-2-methylsulfanyl-6-oxo-4-[[3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]amino]pyrimidin-5-yl]prop-2-enoate Methyl (E)-3-[1-methyl-2-methylsulfanyl-6-oxo-4-[[3,4,5-triacetoxy-6-(acetoxymethyl)tetrahydropyran-2-yl]amino]pyrimidin-5-yl]prop-2-enoate Methyl (E)-3-[1-methyl-2-methylsulfanyl-6-oxidanylidene-4-[[3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]amino]pyrimidin-5-yl]prop-2-enoate
Wiley ID 840446