Atractylenolide III
From Metabolomics.JP
Upper classes
| IDs and Links | |
|---|---|
| LipidBank | [1] |
| LipidMaps | [2] |
| CAS | 73030-71-4 |
| KEGG | {{{KEGG}}} |
| KNApSAcK | |
| CDX file | |
| MOL file | Atractylenolide III.mol |
| Atractylenolide III | |
|---|---|
| |
| Structural Information | |
| Systematic Name | (4aS,8aR,9aS)-4a,5,6,7,8,8a,9,9a-Octahydro-9a-hydroxy-3,8a-dimethyl-5-methylene-naphtho[2,3-b]furan-2(4H)-one |
| Common Name |
|
| Symbol | |
| Formula | C15H20O3 |
| Exact Mass | 248.141244506 |
| Average Mass | 248.3175 |
| SMILES | O=C(O1)C(C)=C(C2)C(O)1CC(C)(C3)C([H])(C(=C)CC3)2 |
| Physicochemical Information | |
| Melting Point | |
| Boiling Point | |
| Density | |
| Optical Rotation | |
| Reflactive Index | |
| Solubility | |
| Spectral Information | |
| Mass Spectra | |
| UV Spectra | |
| IR Spectra | |
| NMR Spectra | |
| Chromatograms | |
