Ethyl (5α,7Beta)-7-Hydroxy-4,4,14-Trimethyl-3,11,15-Trioxochol-8-En-24-Oate
Properties
| Property | Value |
|---|---|
| Formula | C29H42O6 |
| IUPAC Name | ethyl (4r)-4-[(5r,7s,10s,13r,14r,17r)-7-hydroxy-4,4,10,13,14-pentamethyl-3,11,15-trioxo-1,2,5,6,7,12,16,17-octahydrocyclopenta[a]phenanthren-17-yl]pentanoate |
| Molecular Mass | 486.640 g·mol−1 |
| Heat of Formation | -1263.4 ± 16.7 kJ·mol−1 |
| Dipole Moment | 4.22 ± 1.08 D |
| Volume | 603.32 Å 3 |
| Surface Area | 458.26 Å 2 |
| HOMO Energy | -9.63 ± 0.55 eV |
| LUMO Energy | 2.65 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | AQLBEZWXOMWPSR-RBYMTXCUSA-N |
| QR Code | Generate QR Code |
| Links | PubChem ChemSpider |
| DOI | |
| Downloads | Get JSON data Get MOL2 data Get SVG Image |
| Elements | H C O |