| SpectraBase Compound ID | CuecXp8Mm59 |
|---|---|
| InChI | InChI=1S/C21H30O4/c1-13(12-22)5-4-6-14(2)15-9-10-21(3)17(15)11-16-18(23)7-8-19(24)20(16)25-21/h5,9,14,17,19,22,24H,4,6-8,10-12H2,1-3H3/b13-5+/t14?,17-,19+,21+/m0/s1 |
| InChIKey | BDMIMSPBTFWTBC-DHFNMERGSA-N |
| Mol Weight | 346.47 g/mol |
| Molecular Formula | C21H30O4 |
| Exact Mass | 346.214409 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Dn1aACoK2xL |
|---|---|
| Name | TOXIN-E |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C21H30O4 |
| InChI | InChI=1S/C21H30O4/c1-13(12-22)5-4-6-14(2)15-9-10-21(3)17(15)11-16-18(23)7-8-19(24)20(16)25-21/h5,9,14,17,19,22,24H,4,6-8,10-12H2,1-3H3/b13-5+/t14?,17-,19+,21+/m0/s1 |
| InChIKey | BDMIMSPBTFWTBC-DHFNMERGSA-N |
| Literature Reference Author | Y.KONO,J.M.GARDNER,Y.SUZUKI,S.TAKEUCHI |
| Literature Reference Citation | AGR.BIOL.CHEM.,50,1597(1986) |
| Literature Reference DOI | 10.1271/bbb1961.50.1597 |
| Molecular Weight | 346.467 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWIR8181 |