| SpectraBase Compound ID | EVnC0UxY2MK |
|---|---|
| InChI | InChI=1S/C54H54N5O16P/c1-31(2)47(61)57-53-56-46-41(48(62)58-53)55-30-59(46)49-44(75-52-45(74-51(64)33-16-10-6-11-17-33)43(40(72-52)29-70-76(65)66)73-50(63)32-14-8-5-9-15-32)42(60)39(71-49)28-69-54(34-18-12-7-13-19-34,35-20-24-37(67-3)25-21-35)36-22-26-38(68-4)27-23-36/h5-27,30-31,39-40,42-45,49,52,60,76H,28-29H2,1-4H3,(H,65,66)(H2,56,57,58,61,62)/t39-,40-,42-,43-,44-,45-,49-,52+/m1/s1 |
| InChIKey | WAXYDASOSSLNAX-GUPIUVDYSA-N |
| Mol Weight | 1060.0 g/mol |
| Molecular Formula | C54H54N5O16P |
| Exact Mass | 1059.330318 g/mol |
31P Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | AXHlDemNyf7 |
|---|---|
| Name | 2-N-ISOBUTYRYL-5'-O-(4,4'-DIMETHOXYTRITYL)-2'-O-(5''-H-PHOSPHONATE-2'',3''-DI-O-BENZOYL-BETA-D-RIBOFURANOSYL)-GUANOSINE |
| Compound Number | 9C |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C54H53N5O16P |
| InChI | InChI=1S/C54H54N5O16P/c1-31(2)47(61)57-53-56-46-41(48(62)58-53)55-30-59(46)49-44(75-52-45(74-51(64)33-16-10-6-11-17-33)43(40(72-52)29-70-76(65)66)73-50(63)32-14-8-5-9-15-32)42(60)39(71-49)28-69-54(34-18-12-7-13-19-34,35-20-24-37(67-3)25-21-35)36-22-26-38(68-4)27-23-36/h5-27,30-31,39-40,42-45,49,52,60,76H,28-29H2,1-4H3,(H,65,66)(H2,56,57,58,61,62)/t39-,40-,42-,43-,44-,45-,49-,52+/m1/s1 |
| InChIKey | WAXYDASOSSLNAX-GUPIUVDYSA-N |
| Literature Reference Author | M.K.CHMIELEWSKI,W.T.MARKIEWICZ |
| Literature Reference Citation | MOLECULES,18,14780(2013) |
| Literature Reference DOI | 10.3390/molecules181214780 |
| Solvent | CDCl3 |
| Source File Reference | UWIR9930 |