| SpectraBase Compound ID | 72zTf7KqKYu |
|---|---|
| InChI | InChI=1S/C30H48O/c1-19(2)30-16-11-20(3)25(30)29(8)15-12-21-22(28(29,7)17-18-30)9-10-23-26(4,5)24(31)13-14-27(21,23)6/h9,19-21,23,25H,10-18H2,1-8H3/t20-,21-,23-,25-,27+,28+,29-,30+/m0/s1 |
| InChIKey | OUOKFSJISOOKJO-ZYAMBMTRSA-N |
| Mol Weight | 424.7 g/mol |
| Molecular Formula | C30H48O |
| Exact Mass | 424.370516 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | CAHIZRYKeDg |
|---|---|
| Name | ISOMADEIRANONE;D:C-FRIEDOMADEIR-7-EN-3-ONE |
| Compound Number | 2B |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C30H48O |
| InChI | InChI=1S/C30H48O/c1-19(2)30-16-11-20(3)25(30)29(8)15-12-21-22(28(29,7)17-18-30)9-10-23-26(4,5)24(31)13-14-27(21,23)6/h9,19-21,23,25H,10-18H2,1-8H3/t20-,21-,23-,25-,27+,28+,29-,30+/m0/s1 |
| InChIKey | OUOKFSJISOOKJO-ZYAMBMTRSA-N |
| Literature Reference Author | E.M.C.LIMA,J.M.R.MEDEIROS,L.B.DAVIN |
| Literature Reference Citation | PHYTOCHEM.,63,421(2003) |
| Literature Reference DOI | 10.1016/S0031-9422(03)00007-4 |
| Molecular Weight | 424.711 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWLU29755 |