![2-[(2-METHYLPROPANOYL)-AMINO]-7-[2,3,5-TRIS-O-(2-METHYLPROPANOYL)-BETA-D-RIBOFURANOSYL]-3H-PYRROLO-[2,3-D]-PYRIMIDIN-4(7H)-ONE](/api/spectrum/9aE1NWgd1oV/structure.png?h=300&w=458 "2-[(2-METHYLPROPANOYL)-AMINO]-7-[2,3,5-TRIS-O-(2-METHYLPROPANOYL)-BETA-D-RIBOFURANOSYL]-3H-PYRROLO-[2,3-D]-PYRIMIDIN-4(7H)-ONE")
| SpectraBase Compound ID | 5Bwj2fMdVYW |
|---|---|
| InChI | InChI=1S/C27H38N4O9/c1-12(2)21(32)29-27-28-20-16(22(33)30-27)9-10-31(20)23-19(40-26(36)15(7)8)18(39-25(35)14(5)6)17(38-23)11-37-24(34)13(3)4/h9-10,12-15,17-19,23H,11H2,1-8H3,(H2,28,29,30,32,33)/t17-,18-,19-,23-/m0/s1 |
| InChIKey | IAARAGYZWCXWHB-KGYLXKDPSA-N |
| Mol Weight | 562.6 g/mol |
| Molecular Formula | C27H38N4O9 |
| Exact Mass | 562.263879 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 9aE1NWgd1oV |
|---|---|
| Name | 2-[(2-METHYLPROPANOYL)-AMINO]-7-[2,3,5-TRIS-O-(2-METHYLPROPANOYL)-BETA-D-RIBOFURANOSYL]-3H-PYRROLO-[2,3-D]-PYRIMIDIN-4(7H)-ONE |
| Compound Number | 2A |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C27H38N4O9 |
| InChI | InChI=1S/C27H38N4O9/c1-12(2)21(32)29-27-28-20-16(22(33)30-27)9-10-31(20)23-19(40-26(36)15(7)8)18(39-25(35)14(5)6)17(38-23)11-37-24(34)13(3)4/h9-10,12-15,17-19,23H,11H2,1-8H3,(H2,28,29,30,32,33)/t17-,18-,19-,23-/m0/s1 |
| InChIKey | IAARAGYZWCXWHB-KGYLXKDPSA-N |
| Literature Reference Author | F.SEELA,K.MERSMANN |
| Literature Reference Citation | HELV.CHIM.ACTA,76,1435(1993) |
| Literature Reference DOI | 10.1002/hlca.19930760404 |
| Molecular Weight | 562.620 g/mol |
| Solvent | DMSO |
| Source File Reference | UWRK1345 |