![4-HYDROXYL-5-[(8-ETHYNYL-1-ANTHRACENYL)-ETHYNYL]-1-(2',3',5'-TRI-O-ACETYL-BETA-D-RIBOFURANOSYL)-PYRIMIDINE-2-ONE](/api/spectrum/CXLyebBmtra/structure.png?h=300&w=458 "4-HYDROXYL-5-[(8-ETHYNYL-1-ANTHRACENYL)-ETHYNYL]-1-(2',3',5'-TRI-O-ACETYL-BETA-D-RIBOFURANOSYL)-PYRIMIDINE-2-ONE")
| SpectraBase Compound ID | DUusdCEzS1W |
|---|---|
| InChI | InChI=1S/C33H26N2O9/c1-5-21-8-6-10-23-14-24-11-7-9-22(27(24)15-26(21)23)12-13-25-16-35(33(40)34-31(25)39)32-30(43-20(4)38)29(42-19(3)37)28(44-32)17-41-18(2)36/h1,6-11,14-16,28-30,32H,17H2,2-4H3,(H,34,39,40)/t28-,29-,30-,32-/m1/s1 |
| InChIKey | TWBRUYCXSLHAPW-PBAMLIMUSA-N |
| Mol Weight | 594.6 g/mol |
| Molecular Formula | C33H26N2O9 |
| Exact Mass | 594.16383 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | CXLyebBmtra |
|---|---|
| Name | 4-HYDROXYL-5-[(8-ETHYNYL-1-ANTHRACENYL)-ETHYNYL]-1-(2',3',5'-TRI-O-ACETYL-BETA-D-RIBOFURANOSYL)-PYRIMIDINE-2-ONE |
| Compound Number | 2 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C33H26N2O9 |
| InChI | InChI=1S/C33H26N2O9/c1-5-21-8-6-10-23-14-24-11-7-9-22(27(24)15-26(21)23)12-13-25-16-35(33(40)34-31(25)39)32-30(43-20(4)38)29(42-19(3)37)28(44-32)17-41-18(2)36/h1,6-11,14-16,28-30,32H,17H2,2-4H3,(H,34,39,40)/t28-,29-,30-,32-/m1/s1 |
| InChIKey | TWBRUYCXSLHAPW-PBAMLIMUSA-N |
| Literature Reference Author | J.L.SESSLER,R.WANG |
| Literature Reference Citation | J.AM.CHEM.SOC.,118,9808(1996) |
| Literature Reference DOI | 10.1021/ja9618457 |
| Molecular Weight | 594.577 g/mol |
| Sample ID | 53633 |
| Solvent | CDCl3 |