(3β,5β,14Xi)-3-(Acetylsulfanyl)-14-Hydroxycard-20(22)-Enolide
Properties
| Property | Value |
|---|---|
| Formula | C25H36O4S |
| IUPAC Name | s-[(3s,5r,8r,9s,10s,13r,14r,17r)-14-hydroxy-10,13-dimethyl-17-(5-oxo-2h-furan-3-yl)-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-yl] ethanethioate |
| Molecular Mass | 432.616 g·mol−1 |
| Heat of Formation | -840.5 ± 16.7 kJ·mol−1 |
| Dipole Moment | 4.82 ± 1.08 D |
| Volume | 526.53 Å 3 |
| Surface Area | 405.81 Å 2 |
| HOMO Energy | -9.13 ± 0.55 eV |
| LUMO Energy | -0.43 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | XJCCESAEINXXLY-MMRGFKSUSA-N |
| QR Code | Generate QR Code |
| Links | PubChem ChemSpider |
| DOI | |
| Downloads | Get JSON data Get MOL2 data Get SVG Image |
| Elements | H S C O |