| SpectraBase Compound ID | 3A1eYez1aY6 |
|---|---|
| InChI | InChI=1S/C42H44N3O12P.H3N/c1-51-32-20-16-30(17-21-32)42(29-13-7-4-8-14-29,31-18-22-33(52-2)23-19-31)54-27-34-37(57-58(48,49)50)38(56-36-15-9-10-26-53-36)40(55-34)45-25-24-35(44-41(45)47)43-39(46)28-11-5-3-6-12-28;/h3-8,11-14,16-25,34,36-38,40H,9-10,15,26-27H2,1-2H3,(H2,48,49,50)(H,43,44,46,47);1H3/t34-,36?,37-,38-,40-;/m1./s1 |
| InChIKey | ZOIRITZBAGOWLI-ROQVFIBKSA-N |
| Mol Weight | 830.8 g/mol |
| Molecular Formula | C42H47N4O12P |
| Exact Mass | 830.29281 g/mol |
31P Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | CEr001SV2d9 |
|---|---|
| Name | 5'-DIMETHOXYTRITYL-2'-O-TETRAHYDROPYRAN-2-YL-N4-BENZOYLCYTIDIN-3'-O-PHOSPHATE, AMMONIUM SALT |
| Comments | , PY:CH3CN=1:1, REACTION MIXTURE |
| Copyright | Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved. |
| Formula | C42H47N4O12P |
| InChI | InChI=1S/C42H44N3O12P.H3N/c1-51-32-20-16-30(17-21-32)42(29-13-7-4-8-14-29,31-18-22-33(52-2)23-19-31)54-27-34-37(57-58(48,49)50)38(56-36-15-9-10-26-53-36)40(55-34)45-25-24-35(44-41(45)47)43-39(46)28-11-5-3-6-12-28;/h3-8,11-14,16-25,34,36-38,40H,9-10,15,26-27H2,1-2H3,(H2,48,49,50)(H,43,44,46,47);1H3/t34-,36?,37-,38-,40-;/m1./s1 |
| InChIKey | ZOIRITZBAGOWLI-ROQVFIBKSA-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 |