![1,8-BIS-[4-HYDROXYL-5-ETHYNYL-1-(2',3',5'-TRI-O-ACETYL-BETA-D-RIBOFURANOSYL)-PYRIMIDINE-2-ONE]-ANTHRACENE](/api/spectrum/CGwVGBnCupN/structure.png?h=300&w=458 "1,8-BIS-[4-HYDROXYL-5-ETHYNYL-1-(2',3',5'-TRI-O-ACETYL-BETA-D-RIBOFURANOSYL)-PYRIMIDINE-2-ONE]-ANTHRACENE")
| SpectraBase Compound ID | ABLmiWL1pAt |
|---|---|
| InChI | InChI=1S/C48H42N4O18/c1-23(53)63-21-37-39(65-25(3)55)41(67-27(5)57)45(69-37)51-19-33(43(59)49-47(51)61)15-13-29-9-7-11-31-17-32-12-8-10-30(36(32)18-35(29)31)14-16-34-20-52(48(62)50-44(34)60)46-42(68-28(6)58)40(66-26(4)56)38(70-46)22-64-24(2)54/h7-12,17-20,37-42,45-46H,21-22H2,1-6H3,(H,49,59,61)(H,50,60,62)/t37-,38+,39-,40+,41-,42+,45-,46+ |
| InChIKey | XAOBBKFRLMQLLN-YMIJVDPCSA-N |
| Mol Weight | 962.9 g/mol |
| Molecular Formula | C48H42N4O18 |
| Exact Mass | 962.249411 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | CGwVGBnCupN |
|---|---|
| Name | 1,8-BIS-[4-HYDROXYL-5-ETHYNYL-1-(2',3',5'-TRI-O-ACETYL-BETA-D-RIBOFURANOSYL)-PYRIMIDINE-2-ONE]-ANTHRACENE |
| Compound Number | 3 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C48H42N4O18 |
| InChI | InChI=1S/C48H42N4O18/c1-23(53)63-21-37-39(65-25(3)55)41(67-27(5)57)45(69-37)51-19-33(43(59)49-47(51)61)15-13-29-9-7-11-31-17-32-12-8-10-30(36(32)18-35(29)31)14-16-34-20-52(48(62)50-44(34)60)46-42(68-28(6)58)40(66-26(4)56)38(70-46)22-64-24(2)54/h7-12,17-20,37-42,45-46H,21-22H2,1-6H3,(H,49,59,61)(H,50,60,62)/t37-,38+,39-,40+,41-,42+,45-,46+ |
| InChIKey | XAOBBKFRLMQLLN-YMIJVDPCSA-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 | 962.877 g/mol |
| Sample ID | 53634 |
| Solvent | CDCl3 |