(1R,5S,6R,7S,8S,9S)-9-Acetoxy-8-Methyl-4-Methylene-8-[(2R)-2-Oxiranyl]-3-Oxo-7-(3-Oxo-1-Propen-2-Yl)-2-Oxabicyclo[3.3.1]Non-6-Yl 2-Hydroxy-2-Methylbutanoate
Properties
| Property | Value |
|---|---|
| Formula | C22H28O9 |
| IUPAC Name | [(1s,5r,6s,7s,8r,9s)-9-acetoxy-7-(1-formylvinyl)-6-methyl-2-methylene-6-[(2r)-oxiran-2-yl]-3-oxo-4-oxabicyclo[3.3.1]nonan-8-yl] (2r)-2-hydroxy-2-methyl-butanoate |
| Molecular Mass | 436.452 g·mol−1 |
| Heat of Formation | -1410.4 ± 16.7 kJ·mol−1 |
| Dipole Moment | 4.27 ± 1.08 D |
| Volume | 506.09 Å 3 |
| Surface Area | 376.96 Å 2 |
| HOMO Energy | -10.37 ± 0.55 eV |
| LUMO Energy | -0.60 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | UGJQEYPUVSKREF-MUCQOSHASA-N |
| QR Code | Generate QR Code |
| Links | PubChem ChemSpider |
| DOI | |
| Downloads | Get JSON data Get MOL2 data Get SVG Image |
| Elements | H C O |