[(1S,4S,12S,13R,16R,17R)-17-Hydroxy-12-Methyl-8-Oxapentacyclo[14.2.1.0~1,13~.0~4,12~.0~5,9~]Nonadeca-5(9),6-Dien-17-Yl]Methyl Acetate
Properties
| Property | Value |
|---|---|
| Formula | C22H30O4 |
| IUPAC Name | [(1s,4s,12s,13r,16r,17r)-17-hydroxy-12-methyl-8-oxapentacyclo[14.2.1.0 1,13 .0 4,12 .0 5,9 ]nonadeca-5(9),6-dien-17-yl]methyl acetate |
| Molecular Mass | 358.471 g·mol−1 |
| Heat of Formation | -737.6 ± 16.7 kJ·mol−1 |
| Dipole Moment | 1.64 ± 1.08 D |
| Volume | 436.24 Å 3 |
| Surface Area | 343.07 Å 2 |
| HOMO Energy | -8.79 ± 0.55 eV |
| LUMO Energy | 0.70 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | PTGGVIKFNQSFBY-WPOGFBIBSA-N |
| QR Code | Generate QR Code |
| Links | PubChem ChemSpider |
| DOI | |
| Downloads | Get JSON data Get MOL2 data Get SVG Image |
| Elements | H C O |