| SpectraBase Compound ID | LJjdsYlwZXY |
|---|---|
| InChI | InChI=1S/C38H38N3O9P/c1-3-25-14-16-28(17-15-25)38(27-12-8-5-9-13-27,29-18-20-30(47-2)21-19-29)48-24-31-34(50-51(45)46)33(42)36(49-31)41-23-22-32(40-37(41)44)39-35(43)26-10-6-4-7-11-26/h4-23,31,33-34,36,42,51H,3,24H2,1-2H3,(H,45,46)(H,39,40,43,44)/t31-,33-,34-,36-,38?/m1/s1 |
| InChIKey | INIIXXYEJWGJSQ-CVBAEIMQSA-N |
| Mol Weight | 711.7 g/mol |
| Molecular Formula | C38H38N3O9P |
| Exact Mass | 711.234567 g/mol |
31P Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | BoE1GE5rtjV |
|---|---|
| Name | N4-BENZOYL-5'-O-DIMETHOXYTRIPHENYLMETHYL-2'-O-METHYLCYTIDINE 3'-HYDROGENPHOSPHONATE |
| Copyright | Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved. |
| Formula | C38H38N3O9P |
| InChI | InChI=1S/C38H38N3O9P/c1-3-25-14-16-28(17-15-25)38(27-12-8-5-9-13-27,29-18-20-30(47-2)21-19-29)48-24-31-34(50-51(45)46)33(42)36(49-31)41-23-22-32(40-37(41)44)39-35(43)26-10-6-4-7-11-26/h4-23,31,33-34,36,42,51H,3,24H2,1-2H3,(H,45,46)(H,39,40,43,44)/t31-,33-,34-,36-,38?/m1/s1 |
| InChIKey | INIIXXYEJWGJSQ-CVBAEIMQSA-N |
| Instrument Name | Varian XL-200 |
| Literature Reference | V.G.METELEV, N.F.KRYNETSKAYA, A.A.PURMAL, Z.S.SHABAROVA, Z.TOCIK, L.ARNOLD,J.SMRT (1990) Coll.Czech.Chem.Comm.: v.55, N11, 2781-2786. |
| NMR Standard | H3PO4 85% |
| Observed nucleus | 31P |
| Origin | Chemical Concepts. A Wiley Division. Weinheim, Germany |
| Solvent | CDCl3 chloroform-d |