![2',3'-ISOPROPYLIDENE-N6-[((DIOCTADECYL)-AMINO)-SUCCINYL-AMINOETHY]-ADENOSINE-5'-MONOPHOSPHATE;DODA-AE-N6-AMP-AC](/api/spectrum/EPk1dY4tRQN/structure.png?h=300&w=458 "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
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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 |