| SpectraBase Compound ID | JZfed4fBuQe |
|---|---|
| InChI | InChI=1S/C28H36O5/c1-16(29)33-23-14-21-25(2,3)22(31)8-11-27(21,5)20-7-10-26(4)18(17-9-12-32-15-17)13-19(30)24(26)28(20,23)6/h8-9,11-12,15,18,20-21,23-24H,7,10,13-14H2,1-6H3/t18-,20?,21?,23+,24?,26-,27+,28-/m0/s1 |
| InChIKey | YLKHFXUUZIHXPY-ZUYFOBQLSA-N |
| Mol Weight | 452.6 g/mol |
| Molecular Formula | C28H36O5 |
| Exact Mass | 452.256274 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | EEev2r72l5Q |
|---|---|
| Name | 7-ACETYLNEOTRICHILENONE |
| Compound Number | 2 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C28H36O5 |
| InChI | InChI=1S/C28H36O5/c1-16(29)33-23-14-21-25(2,3)22(31)8-11-27(21,5)20-7-10-26(4)18(17-9-12-32-15-17)13-19(30)24(26)28(20,23)6/h8-9,11-12,15,18,20-21,23-24H,7,10,13-14H2,1-6H3/t18-,20?,21?,23+,24?,26-,27+,28-/m0/s1 |
| InChIKey | YLKHFXUUZIHXPY-ZUYFOBQLSA-N |
| Literature Reference Author | D.A.G.CORTEZ,J.B.FERNANDES,P.C.VIEIRA,M.F.D.G.F.D.SILVA,A.G. FERREIRA |
| Literature Reference Citation | PHYTOCHEM.,55,711(2000) |
| Literature Reference DOI | 10.1016/S0031-9422(00)00298-3 |
| Molecular Weight | 452.591 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWLU2572 |