| SpectraBase Compound ID | A5fVDnxCLTW |
|---|---|
| InChI | InChI=1S/C21H30O5/c1-11(2)18-15-8-17(22)12(3)14-6-7-20(24,10-26-5)16(14)9-21(15,25)13(4)19(18)23/h9,11-12,14,17,22,24-25H,4,6-8,10H2,1-3,5H3/b16-9+/t12-,14?,17+,20+,21-/m0/s1 |
| InChIKey | WRNBXNJPKBYCIY-TWXDVCOPSA-N |
| Mol Weight | 362.47 g/mol |
| Molecular Formula | C21H30O5 |
| Exact Mass | 362.209324 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | ClNWEKk7AL1 |
|---|---|
| Name | BRASSICICENE-D |
| Compound Number | 5 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C21H30O5 |
| InChI | InChI=1S/C21H30O5/c1-11(2)18-15-8-17(22)12(3)14-6-7-20(24,10-26-5)16(14)9-21(15,25)13(4)19(18)23/h9,11-12,14,17,22,24-25H,4,6-8,10H2,1-3,5H3/b16-9+/t12-,14?,17+,20+,21-/m0/s1 |
| InChIKey | WRNBXNJPKBYCIY-TWXDVCOPSA-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 | 362.466 g/mol |
| Solvent | CD3OD |
| Source File Reference | UWUC251 |