[(1R,1'S,2R,3R,6'R,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,6r,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 | -1193.9 ± 16.7 kJ·mol−1 |
Dipole Moment | 5.95 ± 1.08 D |
Volume | 460.18 Å 3 |
Surface Area | 348.73 Å 2 |
HOMO Energy | -10.05 ± 0.55 eV |
LUMO Energy | -0.54 ± eV |
Point Group Symmetry | C1 |
InChIKey | BUJZGALXYNSLEB-KZNLHOGRSA-N |
QR Code | Generate QR Code |
Links | PubChem ChemSpider |
DOI | |
Downloads | Get JSON data Get MOL2 data Get SVG Image |
Elements | H C O |