(1S,3R,5Z,7Z,22E)-9,10-Secoergosta-5,7,10,22-Tetraene-1,3,24,25,26-Pentol
Properties
| Property | Value |
|---|---|
| Formula | C28H44O5 |
| IUPAC Name | (e,2r,3r,6r)-6-[(1r,3as,4e,7ar)-4-[(2z)-2-[(3s,5r)-3,5-dihydroxy-2-methylene-cyclohexylidene]ethylidene]-7a-methyl-2,3,3a,5,6,7-hexahydro-1h-inden-1-yl]-2,3-dimethyl-hept-4-ene-1,2,3-triol |
| Molecular Mass | 460.646 g·mol−1 |
| Heat of Formation | 2718.3 ± 16.7 kJ·mol−1 |
| Dipole Moment | 1.37 ± 1.08 D |
| Volume | 498.39 Å 3 |
| Surface Area | 441.61 Å 2 |
| HOMO Energy | -9.06 ± 0.55 eV |
| LUMO Energy | -2.22 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | JIKNSRWYDSGVIZ-NDYXVRCRSA-N |
| QR Code | Generate QR Code |
| Links | PubChem ChemSpider |
| DOI | |
| Downloads | Get JSON data Get MOL2 data Get SVG Image |
| Elements | H C O |