| SpectraBase Compound ID | 2b7gU0l4ZBV |
|---|---|
| InChI | InChI=1S/C26H36O6/c1-25(19-26(2)23(31-32-25)18-24(27)28-26)17-11-6-4-3-5-10-14-21-15-16-22(30-29-21)20-12-8-7-9-13-20/h7-9,12-13,15-16,21-23H,3-6,10-11,14,17-19H2,1-2H3/t21?,22?,23-,25-,26-/m0/s1 |
| InChIKey | KPMTVNOYGQSCJQ-HDSKABHJSA-N |
| Mol Weight | 444.6 g/mol |
| Molecular Formula | C26H36O6 |
| Exact Mass | 444.251189 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 6xIQ1MaxecO |
|---|---|
| Name | PLAKORTOPEROXIDE_A |
| Compound Number | 5 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C26H36O6 |
| InChI | InChI=1S/C26H36O6/c1-25(19-26(2)23(31-32-25)18-24(27)28-26)17-11-6-4-3-5-10-14-21-15-16-22(30-29-21)20-12-8-7-9-13-20/h7-9,12-13,15-16,21-23H,3-6,10-11,14,17-19H2,1-2H3/t21?,22?,23-,25-,26-/m0/s1 |
| InChIKey | KPMTVNOYGQSCJQ-HDSKABHJSA-N |
| Literature Reference Author | K.W.L.YONG,L.K.LAMBERT,P.Y.HAYES,J.J.DEVOSS,M.J.GARSON |
| Literature Reference Citation | J.NAT.PROD.,75,351(2012) |
| Literature Reference DOI | 10.1021/np200619q |
| Molecular Weight | 444.568 g/mol |
| Sample ID | 40110 |
| Solvent | ACETONE-D6 |