| SpectraBase Compound ID | 5RmAJ3tmJvs |
|---|---|
| InChI | InChI=1S/C49H43N7O16/c1-23(57)65-20-36-40(67-25(3)59)42(69-27(5)61)47(71-36)55-19-33(46(63)54-49(55)64)14-13-29-9-7-11-31-17-32-12-8-10-30(35(32)18-34(29)31)15-16-38-53-39-44(50)51-22-52-45(39)56(38)48-43(70-28(6)62)41(68-26(4)60)37(72-48)21-66-24(2)58/h7-12,17-19,22,36-37,40-43,47-48H,20-21H2,1-6H3,(H2,50,51,52)(H,54,63,64)/t36-,37+,40-,41+,42-,43+,47-,48+/m0/s1 |
| InChIKey | CCKQEOXGXRAMOO-ZPPKXPEASA-N |
| Mol Weight | 985.9 g/mol |
| Molecular Formula | C49H43N7O16 |
| Exact Mass | 985.276628 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 7sFsPzBZxEZ |
|---|---|
| Name | #1;1-[4-HYDROXYL-5-1-ETHYNYL-(2',3',5'-TRI-O-ACETYL-BETA-D-RIBOFURANOSYL)-PYRIMIDINE-2-ONE-8-[6-AMINO-8-ETHYNYL-9-(2',3',5'-TRI-O-ACETYL-BETA-D-RIBOFURANOSYL)- |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C49H43N7O16 |
| InChI | InChI=1S/C49H43N7O16/c1-23(57)65-20-36-40(67-25(3)59)42(69-27(5)61)47(71-36)55-19-33(46(63)54-49(55)64)14-13-29-9-7-11-31-17-32-12-8-10-30(35(32)18-34(29)31)15-16-38-53-39-44(50)51-22-52-45(39)56(38)48-43(70-28(6)62)41(68-26(4)60)37(72-48)21-66-24(2)58/h7-12,17-19,22,36-37,40-43,47-48H,20-21H2,1-6H3,(H2,50,51,52)(H,54,63,64)/t36-,37+,40-,41+,42-,43+,47-,48+/m0/s1 |
| InChIKey | CCKQEOXGXRAMOO-ZPPKXPEASA-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 | 985.918 g/mol |
| Sample ID | 53635 |
| Solvent | CDCl3 |