![N2-ACETYL-9-[5'-O-(4,4'-DIMETHOXYTRITYL)-2'-O-(2-TRIFLUOROACETAMIDO)-ETHYL-BETA-D-RIBOFURANOSYL]-GUANINE](/api/spectrum/58lc9gCVRDd/structure.png?h=300&w=458 "N2-ACETYL-9-[5'-O-(4,4'-DIMETHOXYTRITYL)-2'-O-(2-TRIFLUOROACETAMIDO)-ETHYL-BETA-D-RIBOFURANOSYL]-GUANINE")
| SpectraBase Compound ID | BtNPQQmmADe |
|---|---|
| InChI | InChI=1S/C37H37F3N6O9/c1-21(47)43-35-44-31-28(32(49)45-35)42-20-46(31)33-30(53-18-17-41-34(50)37(38,39)40)29(48)27(55-33)19-54-36(22-7-5-4-6-8-22,23-9-13-25(51-2)14-10-23)24-11-15-26(52-3)16-12-24/h4-16,20,27,29-30,33,48H,17-19H2,1-3H3,(H,41,50)(H2,43,44,45,47,49)/t27-,29-,30-,33-/m0/s1 |
| InChIKey | VFUGXBWJFXDCKE-MFPZELHZSA-N |
| Mol Weight | 766.7 g/mol |
| Molecular Formula | C37H37F3N6O9 |
| Exact Mass | 766.257411 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 58lc9gCVRDd |
|---|---|
| Name | N2-ACETYL-9-[5'-O-(4,4'-DIMETHOXYTRITYL)-2'-O-(2-TRIFLUOROACETAMIDO)-ETHYL-BETA-D-RIBOFURANOSYL]-GUANINE |
| Compound Number | 36 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C37H37F3N6O9 |
| InChI | InChI=1S/C37H37F3N6O9/c1-21(47)43-35-44-31-28(32(49)45-35)42-20-46(31)33-30(53-18-17-41-34(50)37(38,39)40)29(48)27(55-33)19-54-36(22-7-5-4-6-8-22,23-9-13-25(51-2)14-10-23)24-11-15-26(52-3)16-12-24/h4-16,20,27,29-30,33,48H,17-19H2,1-3H3,(H,41,50)(H2,43,44,45,47,49)/t27-,29-,30-,33-/m0/s1 |
| InChIKey | VFUGXBWJFXDCKE-MFPZELHZSA-N |
| Literature Reference Author | S.BUCHINI,C.J.LEUMANN |
| Literature Reference Citation | EUR.J.ORG.CHEM.,3152(2006) |
| Molecular Weight | 766.731 g/mol |
| Sample ID | 44147 |
| Solvent | CDCl3 |