(1S,3R,5E,7E,22E)-9,10-Secoergosta-5,7,10,22-Tetraene-1,3-Diol
Properties
| Property | Value |
|---|---|
| Formula | C28H44O2 |
| IUPAC Name | (1r,3s,5e)-5-[(2e)-2-[(1r,3as,7ar)-7a-methyl-1-[(e,1r,4r)-1,4,5-trimethylhex-2-enyl]-2,3,3a,5,6,7-hexahydro-1h-inden-4-ylidene]ethylidene]-4-methylene-cyclohexane-1,3-diol |
| Molecular Mass | 412.648 g·mol−1 |
| Heat of Formation | -469.1 ± 16.7 kJ·mol−1 |
| Dipole Moment | 1.13 ± 1.08 D |
| Volume | 573.22 Å 3 |
| Surface Area | 467.0 Å 2 |
| HOMO Energy | -8.38 ± 0.55 eV |
| LUMO Energy | 0.16 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | HKXBNHCUPKIYDM-HBZIUUSASA-N |
| QR Code | Generate QR Code |
| Links | PubChem ChemSpider |
| DOI | |
| Downloads | Get JSON data Get MOL2 data Get SVG Image |
| Elements | H C O |