![#27;1-[3'-O-[2-CYANOETHYL-(DIISOPROPYLAMINO)-PHOSPHANYL]-5'-O-(4,4'-DIMETHOXYTRITYL)-2'-O-(2-TRIFLUOROACETAMIDO)-ETHYL-BETA-D-RIBOFURANOSYL]-5-METHYL-2-PYRIMID](/api/spectrum/4ko95c5FI5h/structure.png?h=300&w=458 "#27;1-[3'-O-[2-CYANOETHYL-(DIISOPROPYLAMINO)-PHOSPHANYL]-5'-O-(4,4'-DIMETHOXYTRITYL)-2'-O-(2-TRIFLUOROACETAMIDO)-ETHYL-BETA-D-RIBOFURANOSYL]-5-METHYL-2-PYRIMID")
| SpectraBase Compound ID | 9Bc8S42a9OJ |
|---|---|
| InChI | InChI=1S/C44H53F3N5O9P/c1-29(2)52(30(3)4)62(59-24-11-22-48)61-38-37(60-40(51-27-31(5)26-50-42(51)54)39(38)57-25-23-49-41(53)44(45,46)47)28-58-43(32-12-9-8-10-13-32,33-14-18-35(55-6)19-15-33)34-16-20-36(56-7)21-17-34/h8-10,12-21,26-27,29-30,37-40H,11,23-25,28H2,1-7H3,(H,49,53)/t37-,38-,39-,40-,62?/m0/s1 |
| InChIKey | UNEOSVVJCKRODO-BBUURBRKSA-N |
| Mol Weight | 883.9 g/mol |
| Molecular Formula | C44H53F3N5O9P |
| Exact Mass | 883.3533 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 4ko95c5FI5h |
|---|---|
| Name | #27;1-[3'-O-[2-CYANOETHYL-(DIISOPROPYLAMINO)-PHOSPHANYL]-5'-O-(4,4'-DIMETHOXYTRITYL)-2'-O-(2-TRIFLUOROACETAMIDO)-ETHYL-BETA-D-RIBOFURANOSYL]-5-METHYL-2-PYRIMID |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C44H53F3N5O9P |
| InChI | InChI=1S/C44H53F3N5O9P/c1-29(2)52(30(3)4)62(59-24-11-22-48)61-38-37(60-40(51-27-31(5)26-50-42(51)54)39(38)57-25-23-49-41(53)44(45,46)47)28-58-43(32-12-9-8-10-13-32,33-14-18-35(55-6)19-15-33)34-16-20-36(56-7)21-17-34/h8-10,12-21,26-27,29-30,37-40H,11,23-25,28H2,1-7H3,(H,49,53)/t37-,38-,39-,40-,62?/m0/s1 |
| InChIKey | UNEOSVVJCKRODO-BBUURBRKSA-N |
| Literature Reference Author | S.BUCHINI,C.J.LEUMANN |
| Literature Reference Citation | EUR.J.ORG.CHEM.,3152(2006) |
| Molecular Weight | 883.902 g/mol |
| Sample ID | 44135 |
| Solvent | CDCl3 |