| SpectraBase Compound ID | Ld7X9AFYRzW |
|---|---|
| InChI | InChI=1S/C21H34O4/c1-11(2)19-16-9-18(22)12(3)14-6-7-21(24,10-25-5)17(14)8-15(16)13(4)20(19)23/h8,11-15,18,20,22-24H,6-7,9-10H2,1-5H3/b17-8+/t12-,13+,14?,15+,18+,20-,21+/m1/s1 |
| InChIKey | IGUFYHFJOVSYRH-CYVNQCOZSA-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 | 2f8vxQjcSvw |
|---|---|
| Name | BRASSICICENE-H |
| Compound Number | 8 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C21H34O4 |
| InChI | InChI=1S/C21H34O4/c1-11(2)19-16-9-18(22)12(3)14-6-7-21(24,10-25-5)17(14)8-15(16)13(4)20(19)23/h8,11-15,18,20,22-24H,6-7,9-10H2,1-5H3/b17-8+/t12-,13+,14?,15+,18+,20-,21+/m1/s1 |
| InChIKey | IGUFYHFJOVSYRH-CYVNQCOZSA-N |
| Literature Reference Author | M.S.C.PEDRAS,P.B.CHUMALA,W.JIN,M.S.ISLAM,D.W.HAUCK |
| Literature Reference Citation | PHYTOCHEM.,70,394(2009) |
| Literature Reference DOI | 10.1016/j.phytochem.2009.01.005 |
| Molecular Weight | 350.499 g/mol |
| Sample ID | 64565 |
| Solvent | CDCl3 |