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(E)-3-[2-(methylthio)-4-oxo-6-[[3,4,5-triacetyloxy-6-(acetyloxymethyl)-2-oxanyl]amino]-1H-pyrimidin-5-yl]-2-propenoic acid methyl ester

View entire compound with spectra: 1 MS (GC)

(E)-3-[2-(methylthio)-4-oxo-6-[[3,4,5-triacetyloxy-6-(acetyloxymethyl)-2-oxanyl]amino]-1H-pyrimidin-5-yl]-2-propenoic acid methyl ester
SpectraBase Compound ID 2LBbBubVcRr
InChI InChI=1S/C23H29N3O12S/c1-10(27)34-9-15-17(35-11(2)28)18(36-12(3)29)19(37-13(4)30)22(38-15)24-20-14(7-8-16(31)33-5)21(32)26-23(25-20)39-6/h7-8,15,17-19,22H,9H2,1-6H3,(H2,24,25,26,32)/b8-7+/t15-,17-,18+,19-,22-/m1/s1
InChIKey GHTSFIXUGNCMBM-DELUMRNASA-N
Mol Weight 571.55 g/mol
Molecular Formula C23H29N3O12S
Exact Mass 571.147195 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FMn1VS1HpHm
Name (E)-3-[2-(methylthio)-4-oxo-6-[[3,4,5-triacetyloxy-6-(acetyloxymethyl)-2-oxanyl]amino]-1H-pyrimidin-5-yl]-2-propenoic acid methyl ester
CAS Registry Number 131109-41-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H29N3O12S
InChI InChI=1S/C23H29N3O12S/c1-10(27)34-9-15-17(35-11(2)28)18(36-12(3)29)19(37-13(4)30)22(38-15)24-20-14(7-8-16(31)33-5)21(32)26-23(25-20)39-6/h7-8,15,17-19,22H,9H2,1-6H3,(H2,24,25,26,32)/b8-7+/t15-,17-,18+,19-,22-/m1/s1
InChIKey GHTSFIXUGNCMBM-DELUMRNASA-N
Molecular Weight 571.554 g/mol
SMILES N1C(=NC(=C(C1=O)\C=C\C(=O)OC)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])SC
SPLASH splash10-0bu0-0961000000-5af776eb046f791c7ce1
Source of Spectrum Y4-86-280-3
Synonyms (E)-3-[4-keto-2-(methylthio)-6-[[3,4,5-triacetoxy-6-(acetoxymethyl)tetrahydropyran-2-yl]amino]-1H-pyrimidin-5-yl]acrylic acid methyl ester 1,6-Dihydro-2-methylthio-5-((E)-2-methoxycarbonylvinyl)-4-(2,3,4,6-tetra-O-acetyl-.beta.-D-glucopyranosylamino)-1H-pyrimidin-6-one 2,3,4,6-Tetra-O-acetyl-N-[5-[(1E)-3-methoxy-3-oxo-1-propenyl]-2-(methylsulfanyl)-6-oxo-1,6-dihydro-4-pyrimidinyl]hexopyranosylamine Methyl (E)-3-[2-methylsulfanyl-4-oxidanylidene-6-[[3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]amino]-1H-pyrimidin-5-yl]prop-2-enoate Methyl (E)-3-[2-methylsulfanyl-4-oxo-6-[[3,4,5-triacetoxy-6-(acetoxymethyl)tetrahydropyran-2-yl]amino]-1H-pyrimidin-5-yl]prop-2-enoate Methyl (E)-3-[2-methylsulfanyl-4-oxo-6-[[3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]amino]-1H-pyrimidin-5-yl]prop-2-enoate
Wiley ID 840450