(1S,2S,5R,8R,10R,11S,14S,17S,18R,20R)-2,20-Dihydroxy-5-Methyl-13-Methylene-7,9-Dioxahexacyclo[8.7.2.1~11,14~.0~1,8~.0~5,18~.0~11,17~]Icosan-12-One
Properties
| Property | Value |
|---|---|
| Formula | C20H26O5 |
| IUPAC Name | (1s,2s,5r,8r,10r,11s,14s,17s,18r,20r)-2,20-dihydroxy-5-methyl-13-methylene-7,9-dioxahexacyclo[8.7.2.1 11,14 .0 1,8 .0 5,18 .0 11,17 ]icosan-12-one |
| Molecular Mass | 346.417 g·mol−1 |
| Heat of Formation | -879.2 ± 16.7 kJ·mol−1 |
| Dipole Moment | 2.59 ± 1.08 D |
| Volume | 394.84 Å 3 |
| Surface Area | 303.78 Å 2 |
| HOMO Energy | -9.74 ± 0.55 eV |
| LUMO Energy | -0.04 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | MOBGVVQDJSDAER-BWWMJFBFSA-N |
| QR Code | Generate QR Code |
| Links | PubChem ChemSpider |
| DOI | |
| Downloads | Get JSON data Get MOL2 data Get SVG Image |
| Elements | H C O |