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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

31P Nuclear Magnetic Resonance (NMR) Chemical Shifts

31P Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6mDfkpjbJdI
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
Solvent CDCl3:CD3OD=1:1
Source File Reference UWLU55013