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C8-[((DIOCTADECYL)-AMINO)-SUCCINYL-AMINOHEXYLAMINO]-ADENOSINE-5'-MONOPHOSPHATE;DODA-HM-C8-AMP
SpectraBase Compound ID AUwuQt5AIi7
InChI InChI=1S/C56H105N8O9P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-33-37-43-63(44-38-34-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2)49(66)40-39-48(65)58-41-35-31-32-36-42-59-56-62-50-53(57)60-46-61-54(50)64(56)55-52(68)51(67)47(73-55)45-72-74(69,70)71/h46-47,51-52,55,67-68H,3-45H2,1-2H3,(H,58,65)(H,59,62)(H2,57,60,61)(H2,69,70,71)/t47-,51-,52-,55-/m0/s1
InChIKey LGFUFVAPZLGXSW-DYSIOEPUSA-N
Mol Weight 1065.5 g/mol
Molecular Formula C56H105N8O9P
Exact Mass 1064.774214 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID HyaYjiXaFOi
Name C8-[((DIOCTADECYL)-AMINO)-SUCCINYL-AMINOHEXYLAMINO]-ADENOSINE-5'-MONOPHOSPHATE;DODA-HM-C8-AMP
Compound Number 13 B
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C56H103N8O9P
InChI InChI=1S/C56H105N8O9P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-33-37-43-63(44-38-34-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2)49(66)40-39-48(65)58-41-35-31-32-36-42-59-56-62-50-53(57)60-46-61-54(50)64(56)55-52(68)51(67)47(73-55)45-72-74(69,70)71/h46-47,51-52,55,67-68H,3-45H2,1-2H3,(H,58,65)(H,59,62)(H2,57,60,61)(H2,69,70,71)/t47-,51-,52-,55-/m0/s1
InChIKey LGFUFVAPZLGXSW-DYSIOEPUSA-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 1063.456 g/mol
Sample ID 55016
Solvent CDCl3:CD3OD=3:1