![2',3'-ISOPROPYLIDENE-C8-[((DIOCTADECYL)-AMINO)-SUCCINYL-AMINOETHYLAMINO]-ADENOSINE-5'-MONOPHOSPHATE;DODA-AE-C8-AMP-AC](/api/spectrum/DQkvxyMFnw3/structure.png?h=300&w=458 "2',3'-ISOPROPYLIDENE-C8-[((DIOCTADECYL)-AMINO)-SUCCINYL-AMINOETHYLAMINO]-ADENOSINE-5'-MONOPHOSPHATE;DODA-AE-C8-AMP-AC")
| SpectraBase Compound ID | GQSkFGHIZOC |
|---|---|
| InChI | InChI=1S/C55H101N8O9P/c1-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-41-62(42-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-2)47(65)38-37-46(64)57-39-40-58-54-61-48-51(56)59-44-60-52(48)63(54)53-50-49(71-55(3,4)72-50)45(70-53)43-69-73(66,67)68/h44-45,49-50,53H,5-43H2,1-4H3,(H,57,64)(H,58,61)(H2,56,59,60)(H2,66,67,68)/t45-,49-,50-,53-/m0/s1 |
| InChIKey | SSKPYKDYAMRGTN-BOVUGEHMSA-N |
| Mol Weight | 1049.4 g/mol |
| Molecular Formula | C55H101N8O9P |
| Exact Mass | 1048.742914 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | DQkvxyMFnw3 |
|---|---|
| Name | 2',3'-ISOPROPYLIDENE-C8-[((DIOCTADECYL)-AMINO)-SUCCINYL-AMINOETHYLAMINO]-ADENOSINE-5'-MONOPHOSPHATE;DODA-AE-C8-AMP-AC |
| Compound Number | 12A |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C55H99N8O9P |
| InChI | InChI=1S/C55H101N8O9P/c1-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-41-62(42-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-2)47(65)38-37-46(64)57-39-40-58-54-61-48-51(56)59-44-60-52(48)63(54)53-50-49(71-55(3,4)72-50)45(70-53)43-69-73(66,67)68/h44-45,49-50,53H,5-43H2,1-4H3,(H,57,64)(H,58,61)(H2,56,59,60)(H2,66,67,68)/t45-,49-,50-,53-/m0/s1 |
| InChIKey | SSKPYKDYAMRGTN-BOVUGEHMSA-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 | 1047.413 g/mol |
| Sample ID | 55013 |
| Solvent | CDCl3:CD3OD=1:1 |