| SpectraBase Compound ID | 1hcN7y2TaZt |
|---|---|
| InChI | InChI=1S/C22H29N4O12P/c1-10-7-25(21(31)23-19(10)29)16-5-12(28)18(36-16)13-3-4-34-39(33,37-13)38-14-6-17(35-15(14)9-27)26-8-11(2)20(30)24-22(26)32/h7-8,12-18,27-28H,3-6,9H2,1-2H3,(H,23,29,31)(H,24,30,32)/t12-,13+,14-,15+,16+,17+,18-,39?/m0/s1 |
| InChIKey | HLMCVUXOBOUJDA-AIVVDNAISA-N |
| Mol Weight | 572.46 g/mol |
| Molecular Formula | C22H29N4O12P |
| Exact Mass | 572.151959 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 3xoCjdUvhM9 |
|---|---|
| Name | HLMCVUXOBOUJDA-AIVVDNAISA-N |
| Compound Number | (SC,RP)-#ALPHA,BETA-CNA |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C22H29N4O12P |
| InChI | InChI=1S/C22H29N4O12P/c1-10-7-25(21(31)23-19(10)29)16-5-12(28)18(36-16)13-3-4-34-39(33,37-13)38-14-6-17(35-15(14)9-27)26-8-11(2)20(30)24-22(26)32/h7-8,12-18,27-28H,3-6,9H2,1-2H3,(H,23,29,31)(H,24,30,32)/t12-,13+,14-,15+,16+,17+,18-,39?/m0/s1 |
| InChIKey | HLMCVUXOBOUJDA-AIVVDNAISA-N |
| Literature Reference Author | I.L.CLEZIO,J.M.ESCUDIER,A.VIGROUX |
| Literature Reference Citation | ORG.LETTERS,5,161(2003) |
| Literature Reference DOI | 10.1021/ol027222h |
| Molecular Weight | 572.466 g/mol |
| Sample ID | 48099 |
| Solvent | CD3OD |