(3S,5E,7E,14Xi,17Xi,22E)-9,10-Secoergosta-5,7,10,22-Tetraene-3,24-Diol
Properties
| Property | Value |
|---|---|
| Formula | C28H44O2 |
| IUPAC Name | (1s,3z)-3-[(2e)-2-[(1r,3as,7ar)-1-[(e,1r,4r)-4-hydroxy-1,4,5-trimethyl-hex-2-enyl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1h-inden-4-ylidene]ethylidene]-4-methylene-cyclohexanol |
| Molecular Mass | 412.648 g·mol−1 |
| Heat of Formation | -498.9 ± 16.7 kJ·mol−1 |
| Dipole Moment | 2.74 ± 1.08 D |
| Volume | 567.23 Å 3 |
| Surface Area | 452.13 Å 2 |
| HOMO Energy | -8.48 ± 0.55 eV |
| LUMO Energy | 0.20 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | HVAVRRBYXYEBNC-NQLCNAEBSA-N |
| QR Code | Generate QR Code |
| Links | PubChem ChemSpider |
| DOI | |
| Downloads | Get JSON data Get MOL2 data Get SVG Image |
| Elements | H C O |