(9Xi,11α,14Xi)-3,20-Dioxopregn-4-En-11-Yl 4-{[2-(1H-Imidazol-4-Yl)Ethyl]Amino}-4-Oxobutanoate

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Formula C30H42N3O5
IUPAC Name [(8s,9s,10r,11r,13s,14r,17s)-17-acetyl-10,13-dimethyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-11-yl] 4-[2-(1h-imidazol-3-ium-5-id-5-yl)ethylamino]-4-oxo-butanoate
Molecular Mass 524.672 g·mol−1
Heat of Formation -929.2 ± 16.7 kJ·mol−1
Dipole Moment 11.24 ± 1.08 D
Volume 650.07 Å 3
Surface Area 506.07 Å 2
HOMO Energy -9.26 ± 0.55 eV
LUMO Energy -0.01 ± eV
Point Group Symmetry C1
InChIKey VNERKJGHSVUODX-VYYGMJHTSA-N
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