(1R,3R,7E,17β)-17-[(2R,3S)-3-Butyl-5-Ethyl-5-Hydroxy-2-Heptanyl]-2-Methylene-9,10-Secoestra-5,7-Diene-1,3-Diol
Properties
| Property | Value |
|---|---|
| Formula | C32H54O3 |
| IUPAC Name | (1r,3r)-5-[(2e)-2-[(1r,3as,7ar)-1-[(1r,2s)-2-butyl-4-ethyl-4-hydroxy-1-methyl-hexyl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1h-inden-4-ylidene]ethylidene]-2-methylene-cyclohexane-1,3-diol |
| Molecular Mass | 486.769 g·mol−1 |
| Heat of Formation | -806.8 ± 16.7 kJ·mol−1 |
| Dipole Moment | 3.41 ± 1.08 D |
| Volume | 668.71 Å 3 |
| Surface Area | 505.06 Å 2 |
| HOMO Energy | -9.05 ± 0.55 eV |
| LUMO Energy | 3.53 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | OILLQCLQUXHGBN-PWPPSVFISA-N |
| QR Code | Generate QR Code |
| Links | PubChem ChemSpider |
| DOI | |
| Downloads | Get JSON data Get MOL2 data Get SVG Image |
| Elements | H C O |