| SpectraBase Compound ID | 42JfBtyF0tm |
|---|---|
| InChI | InChI=1S/C57H52N5O15P/c1-69-41-27-23-39(24-28-41)57(38-21-13-6-14-22-38,40-25-29-42(70-2)30-26-40)71-31-43-46(63)48(53(73-43)62-34-60-45-50(58-33-59-51(45)62)61-52(64)35-15-7-3-8-16-35)77-56-49(76-55(66)37-19-11-5-12-20-37)47(44(74-56)32-72-78(67)68)75-54(65)36-17-9-4-10-18-36/h3-30,33-34,43-44,46-49,53,56,63,78H,31-32H2,1-2H3,(H,67,68)(H,58,59,61,64)/t43-,44-,46-,47-,48-,49-,53-,56+/m1/s1 |
| InChIKey | LZRMVNCTLIQNNF-BBVCDIGWSA-N |
| Mol Weight | 1078.0 g/mol |
| Molecular Formula | C57H52N5O15P |
| Exact Mass | 1077.319753 g/mol |
31P Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 3bHADUKmdXV |
|---|---|
| Name | 6-N-BENZOYL-5'-O-(4,4'-DIMETHOXYTRITYL)-2'-O-(5''-H-PHOSPHONATE-2'',3''-DI-O-BENZOYL-BETA-D-RIBOFURANOSYL)-ADENOSINE |
| Compound Number | 9A |
| Copyright | Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C57H51N5O15P |
| InChI | InChI=1S/C57H52N5O15P/c1-69-41-27-23-39(24-28-41)57(38-21-13-6-14-22-38,40-25-29-42(70-2)30-26-40)71-31-43-46(63)48(53(73-43)62-34-60-45-50(58-33-59-51(45)62)61-52(64)35-15-7-3-8-16-35)77-56-49(76-55(66)37-19-11-5-12-20-37)47(44(74-56)32-72-78(67)68)75-54(65)36-17-9-4-10-18-36/h3-30,33-34,43-44,46-49,53,56,63,78H,31-32H2,1-2H3,(H,67,68)(H,58,59,61,64)/t43-,44-,46-,47-,48-,49-,53-,56+/m1/s1 |
| InChIKey | LZRMVNCTLIQNNF-BBVCDIGWSA-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 | UWIR9929 |