| SpectraBase Compound ID | EDjeTyALFQX |
|---|---|
| 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 |
| InChIKey | YLKHFXUUZIHXPY-UHFFFAOYSA-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 | FsSITAblX5f |
|---|---|
| Name | 7-Acetyl-neotrichilenone |
| CAS Registry Number | 18046-82-7 |
| Copyright | Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. 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 |
| InChIKey | YLKHFXUUZIHXPY-UHFFFAOYSA-N |
| Literature Reference | W. Kraus, R. Cramer, Phytochem. 20, 117 (1981). |
| NMR Standard | TMS |
| Origin | Chemical Concepts. A Wiley Division. Weinheim, Germany |
| Solvent | CDCl3 |