(1R,2Z,3R,5E,7E)-17-{(1S)-1-[(2-Ethyl-2-Hydroxybutyl)Sulfanyl]Ethyl}-2-(2-Hydroxyethylidene)-9,10-Secoestra-5,7,16-Triene-1,3-Diol
Properties
| Property | Value |
|---|---|
| Formula | C28H44O4S |
| IUPAC Name | (1r,3r)-5-[(2e)-2-[(3as,7as)-1-[(1s)-1-(2-ethyl-2-hydroxy-butyl)sulfanylethyl]-7a-methyl-3a,5,6,7-tetrahydro-3h-inden-4-ylidene]ethylidene]-2-(2-hydroxyethylidene)cyclohexane-1,3-diol |
| Molecular Mass | 476.712 g·mol−1 |
| Heat of Formation | -795.3 ± 16.7 kJ·mol−1 |
| Dipole Moment | 6.94 ± 1.08 D |
| Volume | 621.84 Å 3 |
| Surface Area | 500.89 Å 2 |
| HOMO Energy | -8.38 ± 0.55 eV |
| LUMO Energy | 3.12 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | PIRFBNFXEQEXIT-XXUXJEHWSA-N |
| QR Code | Generate QR Code |
| Links | ChemSpider |
| DOI | |
| Downloads | Get JSON data Get MOL2 data Get SVG Image |
| Elements | H C S O |