| SpectraBase Compound ID | EvILYfkCvAn |
|---|---|
| InChI | InChI=1S/C23H34O7/c1-12(2)19-16-9-18(25)13(3)15-7-8-22(27,11-29-6)17(15)10-23(16,28)21(5,20(19)26)30-14(4)24/h10,12-13,15,18,25,27-28H,7-9,11H2,1-6H3/b17-10+/t13-,15?,18+,21+,22+,23+/m0/s1 |
| InChIKey | BXZRFNRVGCBGTM-WNFXKDTESA-N |
| Mol Weight | 422.5 g/mol |
| Molecular Formula | C23H34O7 |
| Exact Mass | 422.230453 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 7q4XYfQGykN |
|---|---|
| Name | BRASSICICENE-E |
| Compound Number | 6 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C23H34O7 |
| InChI | InChI=1S/C23H34O7/c1-12(2)19-16-9-18(25)13(3)15-7-8-22(27,11-29-6)17(15)10-23(16,28)21(5,20(19)26)30-14(4)24/h10,12-13,15,18,25,27-28H,7-9,11H2,1-6H3/b17-10+/t13-,15?,18+,21+,22+,23+/m0/s1 |
| InChIKey | BXZRFNRVGCBGTM-WNFXKDTESA-N |
| Literature Reference Author | S.L.MACKINNON,P.KEIFER,W.A.AYER |
| Literature Reference Citation | PHYTOCHEM.,51,215(1999) |
| Literature Reference DOI | 10.1016/S0031-9422(98)00732-8 |
| Molecular Weight | 422.519 g/mol |
| Solvent | CD3OD |
| Source File Reference | UWUC252 |