(1R,2R,4S,5S,7R,8R,9R,13R,16S,17R)-11-Ethyl-4,7-Dihydroxy-13-Methyl-6-Methylene-11-Azahexacyclo[7.7.2.1~5,8~.0~1,10~.0~2,8~.0~13,17~]Nonadec-16-Yl Benzoate
Properties
| Property | Value |
|---|---|
| Formula | C29H37NO4 |
| IUPAC Name | 11-ethyl-4,7-dihydroxy-13-methyl-6-methylene-11-azahexacyclo[7.7.2.1 5,8 .0 1,10 .0 2,8 .0 13,17 ]nonadec-16-yl benzoate |
| Molecular Mass | 463.608 g·mol−1 |
| Heat of Formation | -608.1 ± 16.7 kJ·mol−1 |
| Dipole Moment | 4.42 ± 1.08 D |
| Volume | 559.98 Å 3 |
| Surface Area | 403.58 Å 2 |
| HOMO Energy | -8.50 ± 0.55 eV |
| LUMO Energy | 2.64 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | CHQAPVIVKFPRBM-PWQXPFJYSA-N |
| QR Code | Generate QR Code |
| Links | PubChem ChemSpider |
| DOI | |
| Downloads | Get JSON data Get MOL2 data Get SVG Image |
| Elements | H C O N |