| SpectraBase Compound ID | 3IPdMXAgv5J |
|---|---|
| InChI | InChI=1S/C26H36O5/c1-16-8-6-10-17(2)12-14-19-22(27)24(29)21(25(30)23(19)28)20(26(4,5)31)15-13-18(3)11-7-9-16/h8,11-12,20,27,30-31H,6-7,9-10,13-15H2,1-5H3/b16-8+,17-12+,18-11+/t20-/m1/s1 |
| InChIKey | LMPXRFSQUGGHBD-NEUPFZBPSA-N |
| Mol Weight | 428.6 g/mol |
| Molecular Formula | C26H36O5 |
| Exact Mass | 428.256274 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 1K8qpKkWoJm |
|---|---|
| Name | SECOTRIDENTOGUINONE |
| Compound Number | 4 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C26H36O5 |
| InChI | InChI=1S/C26H36O5/c1-16-8-6-10-17(2)12-14-19-22(27)24(29)21(25(30)23(19)28)20(26(4,5)31)15-13-18(3)11-7-9-16/h8,11-12,20,27,30-31H,6-7,9-10,13-15H2,1-5H3/b16-8+,17-12+,18-11+/t20-/m1/s1 |
| InChIKey | LMPXRFSQUGGHBD-NEUPFZBPSA-N |
| Literature Reference Author | M.LANG,E.JAEGERS,K.POLBORN,W.STEGLICH |
| Literature Reference Citation | J.NAT.PROD.,72,214(2009) |
| Literature Reference DOI | 10.1021/np8007073 |
| Molecular Weight | 428.569 g/mol |
| Sample ID | 32161 |
| Solvent | CDCl3 |