(11β,17Alpha)-11,21-Dihydroxy-3,20-Dioxopregn-4-En-17-Yl Butyrate

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Formula C25H36O6
IUPAC Name [(8s,9s,10r,11s,13s,14r,17r)-11-hydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-3-oxo-2,6,7,8,9,11,12,14,15,16-decahydro-1h-cyclopenta[a]phenanthren-17-yl] butanoate
Molecular Mass 432.550 g·mol−1
Heat of Formation -1229.3 ± 16.7 kJ·mol−1
Dipole Moment 5.88 ± 1.08 D
Volume 529.63 Å 3
Surface Area 410.02 Å 2
HOMO Energy -9.73 ± 0.55 eV
LUMO Energy 3.06 ± eV
Point Group Symmetry C1
InChIKey BMCQMVFGOVHVNG-SGEQRIHESA-N
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