| SpectraBase Compound ID | ELbLC8IUKuD |
|---|---|
| InChI | InChI=1S/C22H30O4/c1-12(2)16(23)7-6-14(4)15-8-9-22(5,25)21-19(15)20-17(24)10-13(3)11-18(20)26-21/h10-11,15-16,19,21,23-25H,1,4,6-9H2,2-3,5H3/t15-,16?,19+,21-,22-/m0/s1 |
| InChIKey | VEMLNKJUTGWLOB-GKZIPKGRSA-N |
| Mol Weight | 358.48 g/mol |
| Molecular Formula | C22H30O4 |
| Exact Mass | 358.214409 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | DUiwnwxQnHJ |
|---|---|
| Name | FERRUGINENE_A |
| Compound Number | 1 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C22H30O4 |
| InChI | InChI=1S/C22H30O4/c1-12(2)16(23)7-6-14(4)15-8-9-22(5,25)21-19(15)20-17(24)10-13(3)11-18(20)26-21/h10-11,15-16,19,21,23-25H,1,4,6-9H2,2-3,5H3/t15-,16?,19+,21-,22-/m0/s1 |
| InChIKey | VEMLNKJUTGWLOB-GKZIPKGRSA-N |
| Literature Reference Author | P.SEEPHONKAI,R.POPESCU,M.ZEHL,G.KRUPITZA,E.URBAN,B.KOPP |
| Literature Reference Citation | J.NAT.PROD.,74,712(2011) |
| Literature Reference DOI | 10.1021/np100778k |
| Molecular Weight | 358.478 g/mol |
| Sample ID | 37273 |
| Solvent | CDCl3 |