![[3-(4'-FLUORO)-CINNAMAMIDO-OLEAN-12-EN-28-YL]-[4-(4'-FLUORO)-CINNAMAMIDO-PIPERAZIN-1-YL]-METHANONE](/api/spectrum/1GSDlWTCmgM/structure.png?h=300&w=458 "[3-(4'-FLUORO)-CINNAMAMIDO-OLEAN-12-EN-28-YL]-[4-(4'-FLUORO)-CINNAMAMIDO-PIPERAZIN-1-YL]-METHANONE")
| SpectraBase Compound ID | JfZpeTIPHw4 |
|---|---|
| InChI | InChI=1S/C52H67F2N3O3/c1-47(2)26-28-52(46(60)57-32-30-56(31-33-57)45(59)21-13-36-10-16-38(54)17-11-36)29-27-50(6)39(40(52)34-47)18-19-42-49(5)24-23-43(48(3,4)41(49)22-25-51(42,50)7)55-44(58)20-12-35-8-14-37(53)15-9-35/h8-18,20-21,40-43H,19,22-34H2,1-7H3,(H,55,58)/b20-12+,21-13+/t40-,41-,42+,43-,49-,50+,51+,52-/m0/s1 |
| InChIKey | SWPYBXYYWYSSKH-QTEPENTRSA-N |
| Mol Weight | 820.1 g/mol |
| Molecular Formula | C52H67F2N3O3 |
| Exact Mass | 819.515049 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 1GSDlWTCmgM |
|---|---|
| Name | [3-(4'-FLUORO)-CINNAMAMIDO-OLEAN-12-EN-28-YL]-[4-(4'-FLUORO)-CINNAMAMIDO-PIPERAZIN-1-YL]-METHANONE |
| Compound Number | 18 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C52H67F2N3O3 |
| InChI | InChI=1S/C52H67F2N3O3/c1-47(2)26-28-52(46(60)57-32-30-56(31-33-57)45(59)21-13-36-10-16-38(54)17-11-36)29-27-50(6)39(40(52)34-47)18-19-42-49(5)24-23-43(48(3,4)41(49)22-25-51(42,50)7)55-44(58)20-12-35-8-14-37(53)15-9-35/h8-18,20-21,40-43H,19,22-34H2,1-7H3,(H,55,58)/b20-12+,21-13+/t40-,41-,42+,43-,49-,50+,51+,52-/m0/s1 |
| InChIKey | SWPYBXYYWYSSKH-QTEPENTRSA-N |
| Literature Reference Author | W.NIE,J.G.LUO,X.B.WANG,H.YIN,H.B.SUN,H.Q.YAO,L.Y.KONG |
| Literature Reference Citation | CHEM.PHARM.BULL.,59,1051(2011) |
| Literature Reference DOI | 10.1248/cpb.59.1051 |
| Molecular Weight | 820.119 g/mol |
| Source File Reference | UWIR3510 |