| SpectraBase Compound ID | 1N8lbRcahr5 |
|---|---|
| InChI | InChI=1S/C21H32O4/c1-12(2)19-15-8-17(22)13(3)14-6-7-21(24,11-25-5)16(14)9-20(15,4)10-18(19)23/h9,12-14,17,22,24H,6-8,10-11H2,1-5H3/b16-9+/t13-,14?,17+,20+,21+/m0/s1 |
| InChIKey | UFGRMUDXNJXKQF-IQQHUHMNSA-N |
| Mol Weight | 348.5 g/mol |
| Molecular Formula | C21H32O4 |
| Exact Mass | 348.23006 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 8CLfg6N7Ybr |
|---|---|
| Name | BRASSICICENE-A |
| Compound Number | 1 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C21H32O4 |
| InChI | InChI=1S/C21H32O4/c1-12(2)19-15-8-17(22)13(3)14-6-7-21(24,11-25-5)16(14)9-20(15,4)10-18(19)23/h9,12-14,17,22,24H,6-8,10-11H2,1-5H3/b16-9+/t13-,14?,17+,20+,21+/m0/s1 |
| InChIKey | UFGRMUDXNJXKQF-IQQHUHMNSA-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 | 348.483 g/mol |
| Solvent | CD3OD |
| Source File Reference | UWUC248 |