| SpectraBase Compound ID | 3elExQLK2SK |
|---|---|
| InChI | InChI=1S/C42H44N3O11P/c1-50-32-20-16-30(17-21-32)42(29-13-7-4-8-14-29,31-18-22-33(51-2)23-19-31)53-27-34-37(56-57(48)49)38(55-36-15-9-10-26-52-36)40(54-34)45-25-24-35(44-41(45)47)43-39(46)28-11-5-3-6-12-28/h3-8,11-14,16-25,34,36-38,40,57H,9-10,15,26-27H2,1-2H3,(H,48,49)(H,43,44,46,47)/t34-,36?,37-,38-,40-/m1/s1 |
| InChIKey | QRVOXVZRIFHXGD-JQSTYZSZSA-N |
| Mol Weight | 797.8 g/mol |
| Molecular Formula | C42H44N3O11P |
| Exact Mass | 797.271346 g/mol |
31P Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 4TL3r77ew2D |
|---|---|
| Name | 5'-O-DIMETHOXYTRITYL-2'-O-TETRAHYDROPYRANYL-N4-BENZOYLCYTIDINE-3'-PHOSPHITE |
| Comments | , PY:MECN=1:1, C=0.1M |
| Copyright | Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved. |
| Formula | C42H44N3O11P |
| InChI | InChI=1S/C42H44N3O11P/c1-50-32-20-16-30(17-21-32)42(29-13-7-4-8-14-29,31-18-22-33(51-2)23-19-31)53-27-34-37(56-57(48)49)38(55-36-15-9-10-26-52-36)40(54-34)45-25-24-35(44-41(45)47)43-39(46)28-11-5-3-6-12-28/h3-8,11-14,16-25,34,36-38,40,57H,9-10,15,26-27H2,1-2H3,(H,48,49)(H,43,44,46,47)/t34-,36?,37-,38-,40-/m1/s1 |
| InChIKey | QRVOXVZRIFHXGD-JQSTYZSZSA-N |
| Instrument Name | Bruker HX-90 |
| Literature Reference | A.G.VEN'YAMINOVA, N.I.KOMAROVA, A.S.LEVINA, M.N.REPKOVA (1988)Bioorganich.Khim.(Russ. Lang.): v.14, N4, 484-489. |
| NMR Standard | H3PO4 85% |
| Observed nucleus | 31P |
| Origin | Chemical Concepts. A Wiley Division. Weinheim, Germany |
| Solvent | CH3CN/C5H5N |