(1R,2R,3R,5E,7E,17β)-17-(6-Hydroxy-6-Methyl-2-Heptanyl)-2-Methyl-9,10-Secoestra-5,7-Diene-1,3-Diol
Properties
| Property | Value |
|---|---|
| Formula | C27H46O3 |
| IUPAC Name | (1r,3r)-5-[(2e)-2-[(1r,3as,7ar)-1-[(1r)-5-hydroxy-1,5-dimethyl-hexyl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1h-inden-4-ylidene]ethylidene]-2-methyl-cyclohexane-1,3-diol |
| Molecular Mass | 418.652 g·mol−1 |
| Heat of Formation | -850.8 ± 16.7 kJ·mol−1 |
| Dipole Moment | 4.09 ± 1.08 D |
| Volume | 577.04 Å 3 |
| Surface Area | 467.0 Å 2 |
| HOMO Energy | -8.60 ± 0.55 eV |
| LUMO Energy | 0.27 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | OZPNRDQPQFOURL-VJPYOZRWSA-N |
| QR Code | Generate QR Code |
| Links | ChemSpider |
| DOI | |
| Downloads | Get JSON data Get MOL2 data Get SVG Image |
| Elements | H C O |