(1R,2R,3R,5E,7E)-17-{(1R)-1-[(2-Ethyl-2-Hydroxybutyl)Sulfanyl]Ethyl}-2-(2-Hydroxyethoxy)-9,10-Secoestra-5,7,16-Triene-1,3-Diol
Properties
| Property | Value |
|---|---|
| Formula | C28H46O5S |
| IUPAC Name | 5-[(2e)-2-[1-[1-(2-ethyl-2-hydroxy-butyl)sulfanylethyl]-7a-methyl-3a,5,6,7-tetrahydro-3h-inden-4-ylidene]ethylidene]-2-(2-hydroxyethoxy)cyclohexane-1,3-diol |
| Molecular Mass | 494.727 g·mol−1 |
| Heat of Formation | -1002.0 ± 16.7 kJ·mol−1 |
| Dipole Moment | 5.53 ± 1.08 D |
| Volume | 644.36 Å 3 |
| Surface Area | 519.65 Å 2 |
| HOMO Energy | -8.36 ± 0.55 eV |
| LUMO Energy | 0.13 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | DUIYWCMQVXJTIP-ZEIJEAITSA-N |
| QR Code | Generate QR Code |
| Links | ChemSpider |
| DOI | |
| Downloads | Get JSON data Get MOL2 data Get SVG Image |
| Elements | H C S O |