[(1R,1'S,2R,3R,6'S,7'R,9'S)-2-Formyl-7'-Hydroxy-3-Methyl-10'-Methylene-2',11'-Dioxo-3'-Oxaspiro[Cyclohexane-1,5'-Tricyclo[7.2.1.0~1,6~]Dodecan]-3-Yl]Methyl Acetate
Properties
| Property | Value |
|---|---|
| Formula | C22H28O7 |
| IUPAC Name | [(1s,1'r,2'r,5r,6s,7r,9s)-2'-formyl-7-hydroxy-1'-methyl-10-methylene-2,11-dioxo-spiro[3-oxatricyclo[7.2.1.01,6]dodecane-5,3'-cyclohexane]-1'-yl]methyl acetate |
| Molecular Mass | 404.454 g·mol−1 |
| Heat of Formation | -1173.4 ± 16.7 kJ·mol−1 |
| Dipole Moment | 7.21 ± 1.08 D |
| Volume | 466.53 Å 3 |
| Surface Area | 365.02 Å 2 |
| HOMO Energy | -10.14 ± 0.55 eV |
| LUMO Energy | -0.44 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | BUJZGALXYNSLEB-YCYJFFQMSA-N |
| QR Code | Generate QR Code |
| Links | PubChem ChemSpider |
| DOI | |
| Downloads | Get JSON data Get MOL2 data Get SVG Image |
| Elements | H C O |