| SpectraBase Compound ID | 9X0oIn56QWD |
|---|---|
| InChI | InChI=1S/C32H28BrN3O7/c33-18-16-25-24(20-41-30(38)22-12-6-2-7-13-22)27(43-31(39)23-14-8-3-9-15-23)29(42-25)36-19-17-26(35-32(36)40)34-28(37)21-10-4-1-5-11-21/h1-15,17,19,24-25,27,29H,16,18,20H2,(H,34,35,37,40)/t24-,25-,27-,29-/m0/s1 |
| InChIKey | IPUVGHRDAQMPFX-JVGXHWGJSA-N |
| Mol Weight | 646.5 g/mol |
| Molecular Formula | C32H28BrN3O7 |
| Exact Mass | 645.111063 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 4qPoJL8nhfY |
|---|---|
| Name | N(4)-BENZOYL-1-(2'-BENZOYL-3'-BENZOYLOXYMETHYL-6'-BROMO-3',5',6'-TRIDEOXY-BETA-ALLO-FURANOSYL)-CYTOSINE |
| Compound Number | 22 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C32H28BrN3O7 |
| InChI | InChI=1S/C32H28BrN3O7/c33-18-16-25-24(20-41-30(38)22-12-6-2-7-13-22)27(43-31(39)23-14-8-3-9-15-23)29(42-25)36-19-17-26(35-32(36)40)34-28(37)21-10-4-1-5-11-21/h1-15,17,19,24-25,27,29H,16,18,20H2,(H,34,35,37,40)/t24-,25-,27-,29-/m0/s1 |
| InChIKey | IPUVGHRDAQMPFX-JVGXHWGJSA-N |
| Literature Reference Author | C.RICHERT,A.L.ROUGHTON,S.A.BENNER |
| Literature Reference Citation | J.AM.CHEM.SOC.,118,4518(1996) |
| Literature Reference DOI | 10.1021/ja952322m |
| Molecular Weight | 646.494 g/mol |
| Sample ID | 57095 |
| Solvent | CDCl3 |