| SpectraBase Compound ID | 2oNSeMk9KTK |
|---|---|
| InChI | InChI=1S/C52H69N3O3/c1-47(2)28-30-52(46(58)55-34-32-54(33-35-55)45(57)23-19-38-16-12-9-13-17-38)31-29-50(6)39(40(52)36-47)20-21-42-49(5)26-25-43(48(3,4)41(49)24-27-51(42,50)7)53-44(56)22-18-37-14-10-8-11-15-37/h8-20,22-23,40-43H,21,24-36H2,1-7H3,(H,53,56)/b22-18+,23-19+/t40-,41-,42+,43-,49-,50+,51+,52-/m0/s1 |
| InChIKey | KAPJOCBZXSFXBF-ZSFWNTHSSA-N |
| Mol Weight | 784.1 g/mol |
| Molecular Formula | C52H69N3O3 |
| Exact Mass | 783.533893 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 7avd81N3Eb1 |
|---|---|
| Name | (3-CINNAMAMIDO-OLEAN-12-EN-28-YL)-(4-CINNAMAMIDO-PIPERAZIN-1-YL)-METHANONE |
| Compound Number | 17 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C52H69N3O3 |
| InChI | InChI=1S/C52H69N3O3/c1-47(2)28-30-52(46(58)55-34-32-54(33-35-55)45(57)23-19-38-16-12-9-13-17-38)31-29-50(6)39(40(52)36-47)20-21-42-49(5)26-25-43(48(3,4)41(49)24-27-51(42,50)7)53-44(56)22-18-37-14-10-8-11-15-37/h8-20,22-23,40-43H,21,24-36H2,1-7H3,(H,53,56)/b22-18+,23-19+/t40-,41-,42+,43-,49-,50+,51+,52-/m0/s1 |
| InChIKey | KAPJOCBZXSFXBF-ZSFWNTHSSA-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 | 784.138 g/mol |
| Source File Reference | UWIR3509 |