(1S,2S,6R,7R,8R,10S,13S)-6-(Hydroxymethyl)-2,6,13-Trimethyl-12-Oxotetracyclo[11.2.1.0~1,10~.0~2,7~]Hexadec-8-Yl Benzoate
Properties
| Property | Value |
|---|---|
| Formula | C27H36O4 |
| IUPAC Name | (1s,2s,6r,7r,8r,10s,13s)-6-(hydroxymethyl)-2,6,13-trimethyl-12-oxotetracyclo[11.2.1.0 1,10 .0 2,7 ]hexadec-8-yl benzoate |
| Molecular Mass | 424.572 g·mol−1 |
| Heat of Formation | -783.8 ± 16.7 kJ·mol−1 |
| Dipole Moment | 2.73 ± 1.08 D |
| Volume | 519.96 Å 3 |
| Surface Area | 395.71 Å 2 |
| HOMO Energy | -9.65 ± 0.55 eV |
| LUMO Energy | -0.62 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | CFPMRJFTBKYCRR-FOOPCEIZSA-N |
| QR Code | Generate QR Code |
| Links | PubChem ChemSpider |
| DOI | |
| Downloads | Get JSON data Get MOL2 data Get SVG Image |
| Elements | H C O |