(3β,9β)-17-(3-Pyridinyl)Androsta-5,16-Dien-3-Yl Acetate

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Formula C26H33NO2
IUPAC Name [(3s,8r,9r,10r,13s,14s)-10,13-dimethyl-17-(3-pyridyl)-2,3,4,7,8,9,11,12,14,15-decahydro-1h-cyclopenta[a]phenanthren-3-yl] acetate
Molecular Mass 391.546 g·mol−1
Heat of Formation -286.9 ± 16.7 kJ·mol−1
Dipole Moment 3.77 ± 1.08 D
Volume 492.12 Å 3
Surface Area 391.41 Å 2
HOMO Energy -9.14 ± 0.55 eV
LUMO Energy -0.27 ± eV
Point Group Symmetry C1
InChIKey UVIQSJCZCSLXRZ-CKFSHRNPSA-N
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