| SpectraBase Compound ID | 6uSVFCbWucZ |
|---|---|
| InChI | InChI=1S/C19H28N7O12P/c1-7-4-25(18(31)23-15(7)29)12-2-8(28)11(37-12)6-35-39(33,34)38-9-3-13(36-10(9)5-27)26-14(22-17(20)21)16(30)24-19(26)32/h4,8-14,27-28H,2-3,5-6H2,1H3,(H,33,34)(H4,20,21,22)(H,23,29,31)(H,24,30,32)/p-1/t8-,9-,10+,11+,12+,13+,14?/m0/s1 |
| InChIKey | CXXSAEBWTHWWHM-MRYLVPEFSA-M |
| Mol Weight | 576.44 g/mol |
| Molecular Formula | C19H27N7O12P |
| Exact Mass | 576.145531 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | KLkBtBMYQPC |
|---|---|
| Name | D-(G+6PT);MAJOR-ISOMER |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C19H27N7O12P |
| InChI | InChI=1S/C19H28N7O12P/c1-7-4-25(18(31)23-15(7)29)12-2-8(28)11(37-12)6-35-39(33,34)38-9-3-13(36-10(9)5-27)26-14(22-17(20)21)16(30)24-19(26)32/h4,8-14,27-28H,2-3,5-6H2,1H3,(H,33,34)(H4,20,21,22)(H,23,29,31)(H,24,30,32)/p-1/t8-,9-,10+,11+,12+,13+,14?/m0/s1 |
| InChIKey | CXXSAEBWTHWWHM-MRYLVPEFSA-M |
| Literature Reference Author | A.CHWOROS,Y.COPPEL,I.DUBEY,G.PRATVIEL,B.MEUNIER |
| Literature Reference Citation | J.AM.CHEM.SOC.,123,5867(2001) |
| Literature Reference DOI | 10.1021/ja003945p |
| Molecular Weight | 576.437 g/mol |
| Solvent | DMSO-D6 |
| Source File Reference | UWVN28146 |