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1,6-Dihydro-5-[2"-(ethoxycarbonyl)viny]-2-(methylthio)-1-methyl-4-{[2',3',4',6'-tetrakis( O-acetyl)-.beta.-D-xylopyranosyl]amino}-6-oxopyrimidine
SpectraBase Compound ID 7Wkrb2y2T5Q
InChI InChI=1S/C25H33N3O12S/c1-8-35-18(33)10-9-16-22(27-25(41-7)28(6)24(16)34)26-23-21(39-15(5)32)20(38-14(4)31)19(37-13(3)30)17(40-23)11-36-12(2)29/h9-10,17,19-21,23,26H,8,11H2,1-7H3/b10-9+/t17-,19-,20+,21-,23-/m1/s1
InChIKey AAOBCSCFXVTOLY-WESUHNCDSA-N
Mol Weight 599.6 g/mol
Molecular Formula C25H33N3O12S
Exact Mass 599.178495 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7GL7R9saCdv
Name 1,6-Dihydro-5-[2"-(ethoxycarbonyl)viny]-2-(methylthio)-1-methyl-4-{[2',3',4',6'-tetrakis( O-acetyl)-.beta.-D-xylopyranosyl]amino}-6-oxopyrimidine
CAS Registry Number 121518-12-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C25H33N3O12S
InChI InChI=1S/C25H33N3O12S/c1-8-35-18(33)10-9-16-22(27-25(41-7)28(6)24(16)34)26-23-21(39-15(5)32)20(38-14(4)31)19(37-13(3)30)17(40-23)11-36-12(2)29/h9-10,17,19-21,23,26H,8,11H2,1-7H3/b10-9+/t17-,19-,20+,21-,23-/m1/s1
InChIKey AAOBCSCFXVTOLY-WESUHNCDSA-N
Molecular Weight 599.608 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)OCC)=O)C
SPLASH splash10-007a-4393110000-5320d0ff6ed6f043bc66
Source of Spectrum Y4-86-280-3
Synonyms 1,6-Dihydro-5-[2''-(ethoxycarbonyl)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 ethyl ester Ethyl (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 Ethyl (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 Ethyl (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 840445