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3-Methoxycarbonyl-2-methyl-5-(2,3,5-tri-o-acetyl-.beta.-D-ribofuranosyl)pyrrole
SpectraBase Compound ID 9aYgAx3ufbw
InChI InChI=1S/C18H23NO9/c1-8-12(18(23)24-5)6-13(19-8)15-17(27-11(4)22)16(26-10(3)21)14(28-15)7-25-9(2)20/h6,14-17,19H,7H2,1-5H3
InChIKey AXIWHXSJUJUZOI-UHFFFAOYSA-N
Mol Weight 397.38 g/mol
Molecular Formula C18H23NO9
Exact Mass 397.137281 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 7H2uP1BkImL
Name 3-Methoxycarbonyl-2-methyl-5-(2,3,5-tri-o-acetyl-.beta.-D-ribofuranosyl)pyrrole
Comments Computed using HOSE algorithm
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Exact Mass 397.137281316 u
Formula C18H23NO9
InChI InChI=1S/C18H23NO9/c1-8-12(18(23)24-5)6-13(19-8)15-17(27-11(4)22)16(26-10(3)21)14(28-15)7-25-9(2)20/h6,14-17,19H,7H2,1-5H3
InChIKey AXIWHXSJUJUZOI-UHFFFAOYSA-N
Molecular Weight 397.380 g/mol
SMILES C1(C(OC(C1OC(=O)C)C=1NC(=C(C1)C(OC)=O)C)COC(C)=O)OC(C)=O