9-Methyl-19-Norpregn-4-Ene-3,20-Dione

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Properties Simple | Detailed

Formula C21H30O2
IUPAC Name (8s,9s,10s,13s,14s,17s)-17-acetyl-9,13-dimethyl-1,2,6,7,8,10,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one
Molecular Mass 314.462 g·mol−1
Heat of Formation -477.8 ± 16.7 kJ·mol−1
Dipole Moment 3.27 ± 1.08 D
Volume 406.6 Å 3
Surface Area 322.31 Å 2
HOMO Energy -9.78 ± 0.55 eV
LUMO Energy 0.02 ± eV
Point Group Symmetry C1
InChIKey ATMFQGGOYZOFJY-ZZAJFKAYSA-N
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Elements H C O