| SpectraBase Compound ID | EjDXc1rgs56 |
|---|---|
| InChI | InChI=1S/C22H29N7O14P2/c1-38-17-12(42-22(16(17)32)29-9-27-13-18(23)25-8-26-20(13)29)7-40-45(36,37)43-44(34,35)39-6-11-14(30)15(31)21(41-11)28-4-2-3-10(5-28)19(24)33/h2-5,8-9,11-12,14-17,21-22,30-32H,6-7H2,1H3,(H5-,23,24,25,26,33,34,35,36,37)/p-1/t11-,12+,14-,15-,16+,17+,21-,22+/m1/s1 |
| InChIKey | BXFMCWCODQPBGS-BSRWSFLRSA-M |
| Mol Weight | 676.45 g/mol |
| Molecular Formula | C22H28N7O14P2 |
| Exact Mass | 676.116948 g/mol |
31P Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 6PgWg8fSo39 |
|---|---|
| Name | 3'-O-METHYL-A-NICOTINAMIDE-ADENINE-DINUCLEOTIDE |
| Compound Number | 9 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C22H28N7O14P2 |
| InChI | InChI=1S/C22H29N7O14P2/c1-38-17-12(42-22(16(17)32)29-9-27-13-18(23)25-8-26-20(13)29)7-40-45(36,37)43-44(34,35)39-6-11-14(30)15(31)21(41-11)28-4-2-3-10(5-28)19(24)33/h2-5,8-9,11-12,14-17,21-22,30-32H,6-7H2,1H3,(H5-,23,24,25,26,33,34,35,36,37)/p-1/t11-,12+,14-,15-,16+,17+,21-,22+/m1/s1 |
| InChIKey | BXFMCWCODQPBGS-BSRWSFLRSA-M |
| Literature Reference Author | S.M.GRAHAM,D.J.MACAYA,R.N.SENGUPTA,K.B.TURNER |
| Literature Reference Citation | ORG.LETTERS,6,233(2004) |
| Literature Reference DOI | 10.1021/ol036152r |
| Solvent | D2O |
| Source File Reference | UWSI34899 |