(3β,5Alpha)-3-Hydroxy-21-(1H-Imidazol-1-Yl)-3-(Methoxymethyl)Pregnan-20-One
Properties
| Property | Value |
|---|---|
| Formula | C26H40N2O3 |
| IUPAC Name | 1-[(3s,5s,8r,9s,10s,13s,14s,17s)-3-hydroxy-3-(methoxymethyl)-10,13-dimethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2-imidazol-1-yl-ethanone |
| Molecular Mass | 428.607 g·mol−1 |
| Heat of Formation | -592.7 ± 16.7 kJ·mol−1 |
| Dipole Moment | 7.66 ± 1.08 D |
| Volume | 549.68 Å 3 |
| Surface Area | 431.7 Å 2 |
| HOMO Energy | -9.24 ± 0.55 eV |
| LUMO Energy | 3.41 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | BRVGKZNQWCQKTC-YVJFYBQISA-N |
| QR Code | Generate QR Code |
| Links | PubChem ChemSpider |
| DOI | |
| Downloads | Get JSON data Get MOL2 data Get SVG Image |
| Elements | H C O N |