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1,6-Dihydro-1-methyl-2-methylthio-5-((E)-2-methoxycarbonylvinyl)-4-(2,3,4,6-tetra-o-acetyl-.beta.-D-glucopyranosylamino)-1H-pyrimidin-6-one

View entire compound with spectra: 1 NMR

1,6-Dihydro-1-methyl-2-methylthio-5-((E)-2-methoxycarbonylvinyl)-4-(2,3,4,6-tetra-o-acetyl-.beta.-D-glucopyranosylamino)-1H-pyrimidin-6-one
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

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID D1klCAbe5J9
Name 1,6-Dihydro-1-methyl-2-methylthio-5-((E)-2-methoxycarbonylvinyl)-4-(2,3,4,6-tetra-o-acetyl-.beta.-D-glucopyranosylamino)-1H-pyrimidin-6-one
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 585.162844612 u
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 C1(=NC(=C(C(N1C)=O)\C=C\C(OC)=O)N[C@@]1(O[C@@]([C@]([C@@]([C@]1(OC(=O)C)[H])(OC(=O)C)[H])(OC(=O)C)[H])(COC(C)=O)[H])[H])SC