(2β,3Alpha,5Alpha,16β,17β)-17-Acetoxy-3-Hydroxy-16-(1-Methyl-1-Piperidiniumyl)-2-(1-Piperidinyl)Androstane
Properties
| Property | Value |
|---|---|
| Formula | C32H55N2O3+ |
| IUPAC Name | [(2r,3s,5s,8r,9s,10s,13s,14r,16r,17r)-3-hydroxy-10,13-dimethyl-16-(1-methylpiperidin-1-ium-1-yl)-2-(1-piperidyl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1h-cyclopenta[a]phenanthren-17-yl] acetate |
| Molecular Mass | 515.791 g·mol−1 |
| Heat of Formation | 4158.6 ± 16.7 kJ·mol−1 |
| Dipole Moment | 7.75 ± 1.08 D |
| Volume | 481.04 Å 3 |
| Surface Area | 426.81 Å 2 |
| HOMO Energy | -8.82 ± 0.55 eV |
| LUMO Energy | -2.60 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | KHTHYBVBGJQSIO-XYBQFQDXSA-N |
| QR Code | Generate QR Code |
| Links | PubChem ChemSpider |
| DOI | |
| Downloads | Get JSON data Get MOL2 data Get SVG Image |
| Elements | C O N |