Chloromethyl (8α,9Beta,10α,11α,13α,14Beta,17Beta)-17-[(Ethoxycarbonyl)Oxy]-11-Hydroxy-3-Oxoandrosta-1,4-Diene-17-Carboxylate

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Properties Simple | Detailed

Formula C24H31ClO7
IUPAC Name chloromethyl (8r,9r,10s,11r,13r,14r,17s)-17-ethoxycarbonyloxy-11-hydroxy-10,13-dimethyl-3-oxo-7,8,9,11,12,14,15,16-octahydro-6h-cyclopenta[a]phenanthrene-17-carboxylate
Molecular Mass 466.952 g·mol−1
Heat of Formation -1276.9 ± 16.7 kJ·mol−1
Dipole Moment 5.77 ± 1.08 D
Volume 531.5 Å 3
Surface Area 415.07 Å 2
HOMO Energy -9.73 ± 0.55 eV
LUMO Energy 2.67 ± eV
Point Group Symmetry C1
InChIKey DMKSVUSAATWOCU-STTLPERRSA-N
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Elements H C O Cl