(1S,2R,4S,9R,10S,13R,14S,17R,19S)-17-[(6S,8R)-6,8-Dihydroxy-4,8-Dimethyl-3-Oxo-2-Oxabicyclo[2.2.2]Oct-6-Yl]-9,13-Dimethyl-3,18,20-Trioxahexacyclo[8.8.1.1~14,17~.0~2,4~.0~4,9~.0~14,19~]Icos-6-En-8-One
Properties
| Property | Value |
|---|---|
| Formula | C28H36O8 |
| IUPAC Name | (1s,2r,4s,9r,10s,13r,14s,17r,19s)-17-[(6s,8r)-6,8-dihydroxy-4,8-dimethyl-3-oxo-2-oxabicyclo[2.2.2]oct-6-yl]-9,13-dimethyl-3,18,20-trioxahexacyclo[8.8.1.1 14,17 .0 2,4 .0 4,9 .0 14,19 ]icos-6-en-8-one |
| Molecular Mass | 500.581 g·mol−1 |
| Heat of Formation | -1389.5 ± 16.7 kJ·mol−1 |
| Dipole Moment | 4.83 ± 1.08 D |
| Volume | 574.5 Å 3 |
| Surface Area | 395.24 Å 2 |
| HOMO Energy | -9.78 ± 0.55 eV |
| LUMO Energy | 3.00 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | LJQMXQFAKQTMLT-DGIXKTEDSA-N |
| QR Code | Generate QR Code |
| Links | PubChem ChemSpider |
| DOI | |
| Downloads | Get JSON data Get MOL2 data Get SVG Image |
| Elements | H C O |