(3S,8S,9S,10R,13R,14S,17S)-10,13-Dimethyl-17-{(2R)-6-[Methyl(7-Nitro-2,1,3-Benzoxadiazol-4-Yl)Amino]-2-Heptanyl}-2,3,4,7,8,9,10,11,12,13,14,15,16,17-Tetradecahydro-1H-Cyclopenta[A]Phenanthren-3-Ol (Non-Preferred Name)
Properties
| Property | Value |
|---|---|
| Formula | C33H48N4O4 |
| IUPAC Name | (3s,8s,9s,10r,13r,14s,17s)-10,13-dimethyl-17-[(1r,5r)-1-methyl-5-[methyl-(4-nitro-5,6-dihydro-2,1,3-benzoxadiazole-5,6-diid-7-yl)amino]hexyl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1h-cyclopenta[a]phenanthren-3-ol |
| Molecular Mass | 564.759 g·mol−1 |
| Heat of Formation | -163.4 ± 16.7 kJ·mol−1 |
| Dipole Moment | 12.12 ± 1.08 D |
| Volume | 707.43 Å 3 |
| Surface Area | 548.71 Å 2 |
| HOMO Energy | -8.87 ± 0.55 eV |
| LUMO Energy | -2.08 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | RMGLSQAGXRZCPZ-DKYAOKEHSA-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 |