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1,6-Dihydro-5-formyl-1-methyl-2-methylthio-4-(2,3,4-tri-O-acetyl-.beta.-D-xylopyranosylamino)-1H-pyrimidin-6-one
SpectraBase Compound ID 1UDEOUHavX0
InChI InChI=1S/C18H23N3O9S/c1-8(23)28-12-7-27-16(14(30-10(3)25)13(12)29-9(2)24)19-15-11(6-22)17(26)21(4)18(20-15)31-5/h6,12-14,16,19H,7H2,1-5H3/t12-,13+,14-,16-/m1/s1
InChIKey WULKPTKBBWOYKE-HLPPOEQASA-N
Mol Weight 457.45 g/mol
Molecular Formula C18H23N3O9S
Exact Mass 457.1155 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JLQG8de8EMx
Name 1,6-Dihydro-5-formyl-1-methyl-2-methylthio-4-(2,3,4-tri-O-acetyl-.beta.-D-xylopyranosylamino)-1H-pyrimidin-6-one
CAS Registry Number 117779-83-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H23N3O9S
InChI InChI=1S/C18H23N3O9S/c1-8(23)28-12-7-27-16(14(30-10(3)25)13(12)29-9(2)24)19-15-11(6-22)17(26)21(4)18(20-15)31-5/h6,12-14,16,19H,7H2,1-5H3/t12-,13+,14-,16-/m1/s1
InChIKey WULKPTKBBWOYKE-HLPPOEQASA-N
Molecular Weight 457.454 g/mol
SMILES N(C=1N=C(SC)N(C(C1C=O)=O)C)[C@]1([C@@]([C@@](OC(=O)C)([C@@](CO1)(OC(=O)C)[H])[H])(OC(=O)C)[H])[H]
SPLASH splash10-002r-5294000000-7ba81c5672a8bdc14d0e
Source of Spectrum Y4-86-279-1
Synonyms 2,3,4-Tri-O-acetyl-N-[5-formyl-1-methyl-2-(methylsulfanyl)-6-oxo-1,6-dihydro-4-pyrimidinyl]pentopyranosylamine Acetic acid [(3R,4S,5R,6R)-4,5-diacetyloxy-6-[[5-formyl-1-methyl-2-(methylthio)-6-oxo-4-pyrimidinyl]amino]-3-oxanyl] ester [(3R,4S,5R,6R)-4,5-diacetyloxy-6-[(5-formyl-1-methyl-2-methylsulfanyl-6-oxopyrimidin-4-yl)amino]oxan-3-yl] acetate [(3R,4S,5R,6R)-4,5-diacetoxy-6-[(5-formyl-1-methyl-2-methylsulfanyl-6-oxo-pyrimidin-4-yl)amino]tetrahydropyran-3-yl] acetate [(3R,4S,5R,6R)-4,5-diacetyloxy-6-[(5-methanoyl-1-methyl-2-methylsulfanyl-6-oxidanylidene-pyrimidin-4-yl)amino]oxan-3-yl] ethanoate
Wiley ID 1550219