(3α,5α,8Xi,9Xi,14Xi,17Beta)-17-Acetoxy-3-Hydroxy-2,16-Bis(1-Methyl-1-Piperidiniumyl)Androstane

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Formula C33H59N2O3+
IUPAC Name (2s,3s,5r,8r,9s,10s,13r,14s)-10,13-dimethyl-2-(1-methylpiperidin-1-ium-1-yl)-2,3,4,5,6,7,8,9,11,12,14,15-dodecahydro-1h-cyclopenta[a]phenanthren-3-ol; 1-methylpiperidine; acetate
Molecular Mass 531.833 g·mol−1
Heat of Formation -829.3 ± 16.7 kJ·mol−1
Dipole Moment 10.93 ± 1.08 D
Volume 707.03 Å 3
Surface Area 472.17 Å 2
HOMO Energy -8.41 ± 0.55 eV
LUMO Energy 3.48 ± eV
Point Group Symmetry C1
InChIKey DNYGUSUWFYEAJL-QLOVVUKKSA-N
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