| SpectraBase Compound ID | GF6V8E4htJk |
|---|---|
| InChI | InChI=1S/C22H30O4/c1-13-11-16(23)19-17(12-13)26-20-18(19)15(8-10-22(20,5)25)14(2)7-6-9-21(3,4)24/h6,9,11-12,15,18,20,23-25H,2,7-8,10H2,1,3-5H3/b9-6+/t15-,18+,20-,22-/m0/s1 |
| InChIKey | ZOCFYPAYCMVCQS-QOACGZPJSA-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 | HuyPeIIT3sX |
|---|---|
| Name | FERRUGINENE_B |
| Compound Number | 2 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C22H30O4 |
| InChI | InChI=1S/C22H30O4/c1-13-11-16(23)19-17(12-13)26-20-18(19)15(8-10-22(20,5)25)14(2)7-6-9-21(3,4)24/h6,9,11-12,15,18,20,23-25H,2,7-8,10H2,1,3-5H3/b9-6+/t15-,18+,20-,22-/m0/s1 |
| InChIKey | ZOCFYPAYCMVCQS-QOACGZPJSA-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 | 37274 |
| Solvent | CDCl3 |