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3',4',5'-tri-o-Acetyl-2-N-phenoxyacetyl-guanosine
SpectraBase Compound ID FSAvEUW6bVU
InChI InChI=1S/C24H25N5O10/c1-12(30)35-9-16-19(37-13(2)31)20(38-14(3)32)23(39-16)29-11-25-18-21(29)27-24(28-22(18)34)26-17(33)10-36-15-7-5-4-6-8-15/h4-8,11,16,19-20,23H,9-10H2,1-3H3,(H2,26,27,28,33,34)/t16-,19-,20-,23-/m1/s1
InChIKey XVMMUEHVGKVDAX-UGTJMOTHSA-N
Mol Weight 543.49 g/mol
Molecular Formula C24H25N5O10
Exact Mass 543.160142 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 761v1YWu4cA
Name 3',4',5'-tri-o-Acetyl-2-N-phenoxyacetyl-guanosine
Comments Computed using HOSE algorithm
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Exact Mass 543.160142015 u
Formula C24H25N5O10
InChI InChI=1S/C24H25N5O10/c1-12(30)35-9-16-19(37-13(2)31)20(38-14(3)32)23(39-16)29-11-25-18-21(29)27-24(28-22(18)34)26-17(33)10-36-15-7-5-4-6-8-15/h4-8,11,16,19-20,23H,9-10H2,1-3H3,(H2,26,27,28,33,34)/t16-,19-,20-,23-/m1/s1
InChIKey XVMMUEHVGKVDAX-UGTJMOTHSA-N
Molecular Weight 543.489 g/mol
SMILES N1C(=NC2=C(N=CN2[C@@]2(O[C@@]([C@]([C@]2(OC(=O)C)[H])(OC(=O)C)[H])(COC(C)=O)[H])[H])C1=O)NC(COc1ccccc1)=O