Estrone Benzoate

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Formula C25H26O3
IUPAC Name [(8r,9s,13r,14s)-13-methyl-17-oxo-7,8,9,11,12,14,15,16-octahydro-6h-cyclopenta[a]phenanthren-3-yl] benzoate
Molecular Mass 374.472 g·mol−1
Heat of Formation -417.5 ± 16.7 kJ·mol−1
Dipole Moment 4.55 ± 1.08 D
Volume 453.09 Å 3
Surface Area 387.4 Å 2
HOMO Energy -9.16 ± 0.55 eV
LUMO Energy -0.64 ± eV
Point Group Symmetry C1
InChIKey HKUKRSLIEVXDMS-ILSIFQBBSA-N
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Elements H C O