(2β,3Alpha,5Alpha,16β,17β)-17-Acetoxy-3-Hydroxy-2,16-Bis(1-Methyl-1-Piperidiniumyl)Androstane
Properties
| Property | Value |
|---|---|
| Formula | C33H58N2O3++ |
| IUPAC Name | [(2r,3s,5s,8r,9s,10s,13s,14r,16r,17r)-3-hydroxy-10,13-dimethyl-2,16-bis(1-methylpiperidin-1-ium-1-yl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1h-cyclopenta[a]phenanthren-17-yl] acetate |
| Molecular Mass | 530.825 g·mol−1 |
| Heat of Formation | 4388.2 ± 16.7 kJ·mol−1 |
| Dipole Moment | 5.24 ± 1.08 D |
| Volume | 498.89 Å 3 |
| Surface Area | 386.64 Å 2 |
| HOMO Energy | -9.01 ± 0.55 eV |
| LUMO Energy | -2.49 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | DNYGUSUWFYEAJL-DKQVQIRYSA-N |
| QR Code | Generate QR Code |
| Links | ChemSpider |
| DOI | |
| Downloads | Get JSON data Get MOL2 data Get SVG Image |
| Elements | C O N |