(2E,4E)-5-[(1R,3R,7S,8S,9R)-7-Acetoxy-3-Hydroxy-4,9-Dimethyl-11-Oxo-10-Oxatricyclo[6.3.2.0~1,7~]Tridec-4-En-9-Yl]-2-Methyl-2,4-Pentadienoic Acid
Properties
| Property | Value |
|---|---|
| Formula | C22H28O7 |
| IUPAC Name | (2e,4e)-5-[(1r,3r,7s,8s,9r)-7-acetoxy-3-hydroxy-4,9-dimethyl-11-oxo-10-oxatricyclo[6.3.2.01,7]tridec-4-en-9-yl]-2-methyl-penta-2,4-dienoic acid |
| Molecular Mass | 404.454 g·mol−1 |
| Heat of Formation | -1247.6 ± 16.7 kJ·mol−1 |
| Dipole Moment | 5.29 ± 1.08 D |
| Volume | 483.87 Å 3 |
| Surface Area | 376.33 Å 2 |
| HOMO Energy | -9.67 ± 0.55 eV |
| LUMO Energy | -0.48 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | GFNSUMXEBWZIRI-OXLLHMEESA-N |
| QR Code | Generate QR Code |
| Links | PubChem ChemSpider |
| DOI | |
| Downloads | Get JSON data Get MOL2 data Get SVG Image |
| Elements | H C O |