![(3'S,5'R)-N4-BENZOYL-1-{2'-DEOXY-5'-O-[(4,4'-DIMETHOXYTRIPHENYL)-METHYL]-3',5'-ETHANO-BETA-D-RIBOFURANOSYL}-CYTOSINE](/api/spectrum/30NbmrqhiFf/structure.png?h=300&w=458 "(3'S,5'R)-N4-BENZOYL-1-{2'-DEOXY-5'-O-[(4,4'-DIMETHOXYTRIPHENYL)-METHYL]-3',5'-ETHANO-BETA-D-RIBOFURANOSYL}-CYTOSINE")
| SpectraBase Compound ID | KqeWrQIZSgs |
|---|---|
| InChI | InChI=1S/C39H37N3O7/c1-46-30-17-13-28(14-18-30)39(27-11-7-4-8-12-27,29-15-19-31(47-2)20-16-29)49-32-21-23-38(45)25-34(48-35(32)38)42-24-22-33(41-37(42)44)40-36(43)26-9-5-3-6-10-26/h3-20,22,24,32,34-35,45H,21,23,25H2,1-2H3,(H,40,41,43,44)/t32-,34-,35-,38+/m1/s1 |
| InChIKey | KDWGBWVFSNKEMP-NQLIMUKHSA-N |
| Mol Weight | 659.7 g/mol |
| Molecular Formula | C39H37N3O7 |
| Exact Mass | 659.263151 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 30NbmrqhiFf |
|---|---|
| Name | (3'S,5'R)-N4-BENZOYL-1-{2'-DEOXY-5'-O-[(4,4'-DIMETHOXYTRIPHENYL)-METHYL]-3',5'-ETHANO-BETA-D-RIBOFURANOSYL}-CYTOSINE |
| Compound Number | 10 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C39H37N3O7 |
| InChI | InChI=1S/C39H37N3O7/c1-46-30-17-13-28(14-18-30)39(27-11-7-4-8-12-27,29-15-19-31(47-2)20-16-29)49-32-21-23-38(45)25-34(48-35(32)38)42-24-22-33(41-37(42)44)40-36(43)26-9-5-3-6-10-26/h3-20,22,24,32,34-35,45H,21,23,25H2,1-2H3,(H,40,41,43,44)/t32-,34-,35-,38+/m1/s1 |
| InChIKey | KDWGBWVFSNKEMP-NQLIMUKHSA-N |
| Literature Reference Author | M.TARKOEY,M.BOLLI,C.LEUMANN |
| Literature Reference Citation | HELV.CHIM.ACTA,77,716(1994) |
| Molecular Weight | 659.739 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWPR1353 |