| SpectraBase Compound ID | 5dq42Lz6Kio |
|---|---|
| InChI | InChI=1S/C40H41N3O9/c1-47-30-19-15-28(16-20-30)40(27-13-9-6-10-14-27,29-17-21-31(48-2)22-18-29)51-25-32-35(44)36(49-3)34(38(50-4)52-32)43-24-23-33(42-39(43)46)41-37(45)26-11-7-5-8-12-26/h5-24,32,34-36,38,44H,25H2,1-4H3,(H,41,42,45,46)/t32-,34+,35-,36+,38+/m1/s1 |
| InChIKey | BXRWIGPLDJCLLF-HMWICBLCSA-N |
| Mol Weight | 707.8 g/mol |
| Molecular Formula | C40H41N3O9 |
| Exact Mass | 707.28428 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | LUeXjeT0qko |
|---|---|
| Name | 6'-O-DIMETHOXYTRITYL-1',3'-DI-O-METHYL-2'-DEOXY-2'-(N(6)-BENZOYLCYTOSIN-L-YL)-D-ALTROPYRANOSIDE |
| Compound Number | 16B |
| Copyright | Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C40H41N3O9 |
| InChI | InChI=1S/C40H41N3O9/c1-47-30-19-15-28(16-20-30)40(27-13-9-6-10-14-27,29-17-21-31(48-2)22-18-29)51-25-32-35(44)36(49-3)34(38(50-4)52-32)43-24-23-33(42-39(43)46)41-37(45)26-11-7-5-8-12-26/h5-24,32,34-36,38,44H,25H2,1-4H3,(H,41,42,45,46)/t32-,34+,35-,36+,38+/m1/s1 |
| InChIKey | BXRWIGPLDJCLLF-HMWICBLCSA-N |
| Literature Reference Author | A.VENKATESHAM,D.KACHARE,G.SCHEPERS,J.ROZENSKI,M.FROEYEN,A.V. AERSCHOT |
| Literature Reference Citation | MOLECULES,20,4020(2015) |
| Literature Reference DOI | 10.3390/molecules20034020 |
| Molecular Weight | 707.780 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWPA3028 |