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2',3'-ISOPROPYLIDENE-N6-[((DIOCTADECYL)-AMINO)-SUCCINYL-AMINOETHY]-ADENOSINE-5'-MONOPHOSPHATE;DODA-AE-N6-AMP-AC
SpectraBase Compound ID Co8ICthVXAM
InChI InChI=1S/C55H100N7O9P/c1-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-41-61(42-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-2)48(64)38-37-47(63)56-39-40-57-52-49-53(59-44-58-52)62(45-60-49)54-51-50(70-55(3,4)71-51)46(69-54)43-68-72(65,66)67/h44-46,50-51,54H,5-43H2,1-4H3,(H,56,63)(H,57,58,59)(H2,65,66,67)/t46-,50-,51-,54-/m0/s1
InChIKey MYGNPOGMVCMPET-IZKSQJQOSA-N
Mol Weight 1034.4 g/mol
Molecular Formula C55H100N7O9P
Exact Mass 1033.732015 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID EPk1dY4tRQN
Name 2',3'-ISOPROPYLIDENE-N6-[((DIOCTADECYL)-AMINO)-SUCCINYL-AMINOETHY]-ADENOSINE-5'-MONOPHOSPHATE;DODA-AE-N6-AMP-AC
Compound Number 15A
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C55H98N7O9P
InChI InChI=1S/C55H100N7O9P/c1-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-41-61(42-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-2)48(64)38-37-47(63)56-39-40-57-52-49-53(59-44-58-52)62(45-60-49)54-51-50(70-55(3,4)71-51)46(69-54)43-68-72(65,66)67/h44-46,50-51,54H,5-43H2,1-4H3,(H,56,63)(H,57,58,59)(H2,65,66,67)/t46-,50-,51-,54-/m0/s1
InChIKey MYGNPOGMVCMPET-IZKSQJQOSA-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 1032.398 g/mol
Sample ID 55017
Solvent CDCl3:CD3OD=1:1