| SpectraBase Compound ID | 7NBoJ7M5rh1 |
|---|---|
| InChI | InChI=1S/C45H47N4O12P/c1-54-35-21-17-33(18-22-35)45(32-14-7-4-8-15-32,34-19-23-36(55-2)24-20-34)57-30-37-40(61-62(52,53)58-29-11-26-46)41(60-39-16-9-10-28-56-39)43(59-37)49-27-25-38(48-44(49)51)47-42(50)31-12-5-3-6-13-31/h3-8,12-15,17-25,27,37,39-41,43H,9-11,16,28-30H2,1-2H3,(H,52,53)(H,47,48,50,51)/t37-,39?,40-,41-,43-/m1/s1 |
| InChIKey | MZVLYFBVWXOOJB-HAQHBJODSA-N |
| Mol Weight | 866.9 g/mol |
| Molecular Formula | C45H47N4O12P |
| Exact Mass | 866.29281 g/mol |
31P Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 3UqKkvzabpQ |
|---|---|
| Name | 5'-DIMETHOXYTRITYL-2'-O-TETRAHYDROPYRAN-2-YL-N4-BENZOYLCYTIDIN-3'-O-BETA-CYANOETHYLPHOSPHATE |
| Comments | , PY:CH3CN=1:1, REACTION MIXTURE |
| Copyright | Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved. |
| Formula | C45H47N4O12P |
| InChI | InChI=1S/C45H47N4O12P/c1-54-35-21-17-33(18-22-35)45(32-14-7-4-8-15-32,34-19-23-36(55-2)24-20-34)57-30-37-40(61-62(52,53)58-29-11-26-46)41(60-39-16-9-10-28-56-39)43(59-37)49-27-25-38(48-44(49)51)47-42(50)31-12-5-3-6-13-31/h3-8,12-15,17-25,27,37,39-41,43H,9-11,16,28-30H2,1-2H3,(H,52,53)(H,47,48,50,51)/t37-,39?,40-,41-,43-/m1/s1 |
| InChIKey | MZVLYFBVWXOOJB-HAQHBJODSA-N |
| Instrument Name | Bruker HX-90 |
| Literature Reference | A.G.VEN'YAMINOVA, A.S.LEVINA, M.N.REPKOVA, N.A.CHENTSOVA (1989)Bioorganich.Khim.(Russ. Lang.): v.15, N6, 844-846. |
| NMR Standard | not reported |
| Observed nucleus | 31P |
| Origin | Chemical Concepts. A Wiley Division. Weinheim, Germany |
| Solvent | CH3CN/C5H5N |