![N-BENZOYL-5-METHYL-[5'-O-(4,4'-DIMETHOXYTRITYL)-2'-O-(2-TRIFLUOROACETAMIDO)-ETHYL-BETA-D-RIBOFURANOSYL]-CYTOSINE](/api/spectrum/CKenlOM55u/structure.png?h=300&w=458 "N-BENZOYL-5-METHYL-[5'-O-(4,4'-DIMETHOXYTRITYL)-2'-O-(2-TRIFLUOROACETAMIDO)-ETHYL-BETA-D-RIBOFURANOSYL]-CYTOSINE")
| SpectraBase Compound ID | 5ZALO5Ch04U |
|---|---|
| InChI | InChI=1S/C42H41F3N4O9/c1-26-24-49(40(53)48-36(26)47-37(51)27-10-6-4-7-11-27)38-35(56-23-22-46-39(52)42(43,44)45)34(50)33(58-38)25-57-41(28-12-8-5-9-13-28,29-14-18-31(54-2)19-15-29)30-16-20-32(55-3)21-17-30/h4-21,24,33-35,38,50H,22-23,25H2,1-3H3,(H,46,52)(H,47,48,51,53)/t33-,34-,35-,38-/m0/s1 |
| InChIKey | ASGAMGZLVWDJRJ-RNHIQORTSA-N |
| Mol Weight | 802.8 g/mol |
| Molecular Formula | C42H41F3N4O9 |
| Exact Mass | 802.282563 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | CKenlOM55u |
|---|---|
| Name | N-BENZOYL-5-METHYL-[5'-O-(4,4'-DIMETHOXYTRITYL)-2'-O-(2-TRIFLUOROACETAMIDO)-ETHYL-BETA-D-RIBOFURANOSYL]-CYTOSINE |
| Compound Number | 26 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C42H41F3N4O9 |
| InChI | InChI=1S/C42H41F3N4O9/c1-26-24-49(40(53)48-36(26)47-37(51)27-10-6-4-7-11-27)38-35(56-23-22-46-39(52)42(43,44)45)34(50)33(58-38)25-57-41(28-12-8-5-9-13-28,29-14-18-31(54-2)19-15-29)30-16-20-32(55-3)21-17-30/h4-21,24,33-35,38,50H,22-23,25H2,1-3H3,(H,46,52)(H,47,48,51,53)/t33-,34-,35-,38-/m0/s1 |
| InChIKey | ASGAMGZLVWDJRJ-RNHIQORTSA-N |
| Literature Reference Author | S.BUCHINI,C.J.LEUMANN |
| Literature Reference Citation | EUR.J.ORG.CHEM.,3152(2006) |
| Molecular Weight | 802.804 g/mol |
| Sample ID | 44141 |
| Solvent | CDCl3 |