(3β,5β,9β,22R,23S)-3,5,9,23-Tetrahydroxy-18,22-Cycloergosta-6,8(14)-Dien-11-One
Properties
| Property | Value |
|---|---|
| Formula | C28H42O5 |
| IUPAC Name | (5r,6s,7r,9r,12s,13s,16s,18r)-12,16,18-trihydroxy-7-[(1s,2r)-1-hydroxy-2,3-dimethyl-butyl]-6,13-dimethyl-pentacyclo[10.8.0.02,9.05,9.013,18]icosa-1,19-dien-11-one |
| Molecular Mass | 458.630 g·mol−1 |
| Heat of Formation | -1088.5 ± 16.7 kJ·mol−1 |
| Dipole Moment | 5.59 ± 1.08 D |
| Volume | 573.64 Å 3 |
| Surface Area | 428.7 Å 2 |
| HOMO Energy | -9.36 ± 0.55 eV |
| LUMO Energy | 2.70 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | MUYUFHKTKLPWIW-LAFOIBJPSA-N |
| QR Code | Generate QR Code |
| Links | PubChem ChemSpider |
| DOI | |
| Downloads | Get JSON data Get MOL2 data Get SVG Image |
| Elements | H C O |