(3α,5α,8Xi,9Xi,14Xi,17Beta)-17-Acetoxy-3-Hydroxy-2,16-Bis(1-Methyl-1-Piperidiniumyl)Androstane
Properties
Property | Value |
---|---|
Formula | C33H58N2O3++ |
IUPAC Name | [(2s,3s,5r,8r,9s,10s,13s,14s,16s,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 | 4074.7 ± 16.7 kJ·mol−1 |
Dipole Moment | 10.10 ± 1.08 D |
Volume | 546.74 Å 3 |
Surface Area | 472.16 Å 2 |
HOMO Energy | -8.01 ± 0.55 eV |
LUMO Energy | -3.44 ± eV |
Point Group Symmetry | C1 |
InChIKey | DNYGUSUWFYEAJL-QLOVVUKKSA-N |
QR Code | Generate QR Code |
Links | PubChem ChemSpider |
DOI | |
Downloads | Get JSON data Get MOL2 data Get SVG Image |
Elements | C O N |