6,7-Dihydroxy-16-Isopropenyl-4,8,18-Trimethyl-5-Oxo-14-Phenyl-9,13,15,19-Tetraoxahexacyclo[12.4.1.0~1,11~.0~2,6~.0~8,10~.0~12,16~]Nonadec-17-Yl Benzoate
Properties
| Property | Value |
|---|---|
| Formula | C34H36O9 |
| IUPAC Name | 6,7-dihydroxy-16-isopropenyl-4,8,18-trimethyl-5-oxo-14-phenyl-9,13,15,19-tetraoxahexacyclo[12.4.1.0 1,11 .0 2,6 .0 8,10 .0 12,16 ]nonadec-17-yl benzoate |
| Molecular Mass | 588.644 g·mol−1 |
| Heat of Formation | -1124.6 ± 16.7 kJ·mol−1 |
| Dipole Moment | 4.79 ± 1.08 D |
| Volume | 673.63 Å 3 |
| Surface Area | 484.05 Å 2 |
| HOMO Energy | -9.78 ± 0.55 eV |
| LUMO Energy | -0.57 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | VUPIVOZJYBEXBH-DVBJWBPMSA-N |
| QR Code | Generate QR Code |
| Links | PubChem ChemSpider |
| DOI | |
| Downloads | Get JSON data Get MOL2 data Get SVG Image |
| Elements | H C O |