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1,6-Dihydro-5-[2"-(ethoxycarbonyl)vinyl]-2-(methylthio)-4-{[2',3',4',6'-tetrakis( O-acetyl)-.beta.-D-glucopyranosyl]amino}-6-oxopyrimidine
SpectraBase Compound ID Hx2IWglRUvF
InChI InChI=1S/C24H31N3O12S/c1-7-34-17(32)9-8-15-21(26-24(40-6)27-22(15)33)25-23-20(38-14(5)31)19(37-13(4)30)18(36-12(3)29)16(39-23)10-35-11(2)28/h8-9,16,18-20,23H,7,10H2,1-6H3,(H2,25,26,27,33)/b9-8+/t16-,18-,19+,20-,23-/m1/s1
InChIKey FZQQWXVLKDWAGA-SFMFUDTHSA-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 8un3oGO8feO
Name 1,6-Dihydro-5-[2"-(ethoxycarbonyl)vinyl]-2-(methylthio)-4-{[2',3',4',6'-tetrakis( O-acetyl)-.beta.-D-glucopyranosyl]amino}-6-oxopyrimidine
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C24H31N3O12S
InChI InChI=1S/C24H31N3O12S/c1-7-34-17(32)9-8-15-21(26-24(40-6)27-22(15)33)25-23-20(38-14(5)31)19(37-13(4)30)18(36-12(3)29)16(39-23)10-35-11(2)28/h8-9,16,18-20,23H,7,10H2,1-6H3,(H2,25,26,27,33)/b9-8+/t16-,18-,19+,20-,23-/m1/s1
InChIKey FZQQWXVLKDWAGA-SFMFUDTHSA-N
Molecular Weight 585.581 g/mol
SMILES N1C(=NC(=C(C1=O)\C=C\C(=O)OCC)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 splash10-0bu0-0791000000-0127359f1f720bf517d2
Source of Spectrum Y4-86-280-3
Synonyms 1,6-Dihydro-5-[2''-(ethoxycarbonyl)vinyl]-2-(methylthio)-4-{[2',3',4',6'-tetrakis(O-acetyl)-.beta.-D-glucopyranosyl]amino}-6-oxopyrimidine 2,3,4,6-tetra-O-acetyl-N-[5-[(1E)-3-ethoxy-3-oxo-1-propenyl]-2-(methylsulfanyl)-6-oxo-1,6-dihydro-4-pyrimidinyl]hexopyranosylamine
Wiley ID 840449