![2',3'-ISOPROPYLIDENE-C8-[((DIOCTADECYL)-AMINO)-SUCCINYL-AMINOHEXYLAMINO]-ADENOSINE-5'-MONOPHOSPHATE;DODA-AE-C8-AMP-AC](/api/spectrum/LVWcKhG8sEa/structure.png?h=300&w=458 "2',3'-ISOPROPYLIDENE-C8-[((DIOCTADECYL)-AMINO)-SUCCINYL-AMINOHEXYLAMINO]-ADENOSINE-5'-MONOPHOSPHATE;DODA-AE-C8-AMP-AC")
| SpectraBase Compound ID | IOYuyzLL6GG |
|---|---|
| InChI | InChI=1S/C59H109N8O9P/c1-5-7-9-11-13-15-17-19-21-23-25-27-29-31-35-39-45-66(46-40-36-32-30-28-26-24-22-20-18-16-14-12-10-8-6-2)51(69)42-41-50(68)61-43-37-33-34-38-44-62-58-65-52-55(60)63-48-64-56(52)67(58)57-54-53(75-59(3,4)76-54)49(74-57)47-73-77(70,71)72/h48-49,53-54,57H,5-47H2,1-4H3,(H,61,68)(H,62,65)(H2,60,63,64)(H2,70,71,72)/t49-,53-,54-,57-/m0/s1 |
| InChIKey | HRIUGGVWUWFDCG-OUNAFQPGSA-N |
| Mol Weight | 1105.5 g/mol |
| Molecular Formula | C59H109N8O9P |
| Exact Mass | 1104.805514 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | LVWcKhG8sEa |
|---|---|
| Name | 2',3'-ISOPROPYLIDENE-C8-[((DIOCTADECYL)-AMINO)-SUCCINYL-AMINOHEXYLAMINO]-ADENOSINE-5'-MONOPHOSPHATE;DODA-AE-C8-AMP-AC |
| Compound Number | 12B |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C59H107N8O9P |
| InChI | InChI=1S/C59H109N8O9P/c1-5-7-9-11-13-15-17-19-21-23-25-27-29-31-35-39-45-66(46-40-36-32-30-28-26-24-22-20-18-16-14-12-10-8-6-2)51(69)42-41-50(68)61-43-37-33-34-38-44-62-58-65-52-55(60)63-48-64-56(52)67(58)57-54-53(75-59(3,4)76-54)49(74-57)47-73-77(70,71)72/h48-49,53-54,57H,5-47H2,1-4H3,(H,61,68)(H,62,65)(H2,60,63,64)(H2,70,71,72)/t49-,53-,54-,57-/m0/s1 |
| InChIKey | HRIUGGVWUWFDCG-OUNAFQPGSA-N |
| Literature Reference Author | L.SCHMITT,R.TAMPE |
| Literature Reference Citation | J.AM.CHEM.SOC.,118,5532(1996) |
| Literature Reference DOI | 10.1021/ja953937m |
| Molecular Weight | 1103.521 g/mol |
| Sample ID | 55014 |
| Solvent | CDCl3:CD3OD=2:1 |