(1R,2R,4S,6S,7S,8S,10R,11S,12R,16S,17S,18R)-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 | (1r,2r,4s,6s,7s,8s,10r,11s,12r,16s,17s,18r)-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 | 2922.6 ± 16.7 kJ·mol−1 |
| Dipole Moment | 5.04 ± 1.08 D |
| Volume | 661.14 Å 3 |
| Surface Area | 505.36 Å 2 |
| HOMO Energy | -8.72 ± 0.55 eV |
| LUMO Energy | -1.90 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | VUPIVOZJYBEXBH-ZAQWFLKJSA-N |
| QR Code | Generate QR Code |
| Links | ChemSpider |
| DOI | |
| Downloads | Get JSON data Get MOL2 data Get SVG Image |
| Elements | C O |