| SpectraBase Compound ID | 5CNdQEK7xf7 |
|---|---|
| InChI | InChI=1S/C21H34O4/c1-12(2)15-8-19(23)20(4)10-17-14(6-7-21(17,24)11-25-5)13(3)18(22)9-16(15)20/h10,12-14,18-19,22-24H,6-9,11H2,1-5H3/b17-10+/t13-,14?,18+,19+,20-,21+/m0/s1 |
| InChIKey | LJCHDOYLNWEGEZ-HWPOVOBHSA-N |
| Mol Weight | 350.5 g/mol |
| Molecular Formula | C21H34O4 |
| Exact Mass | 350.24571 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 871tlcqI187 |
|---|---|
| Name | BRASSICICENE-B |
| Compound Number | 3 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C21H34O4 |
| InChI | InChI=1S/C21H34O4/c1-12(2)15-8-19(23)20(4)10-17-14(6-7-21(17,24)11-25-5)13(3)18(22)9-16(15)20/h10,12-14,18-19,22-24H,6-9,11H2,1-5H3/b17-10+/t13-,14?,18+,19+,20-,21+/m0/s1 |
| InChIKey | LJCHDOYLNWEGEZ-HWPOVOBHSA-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 | 350.499 g/mol |
| Solvent | CD3OD |
| Source File Reference | UWUC249 |