(5α)-Estrane-3,17-Dione

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Formula C18H26O2
IUPAC Name (5s,8r,9r,10s,13s,14s)-13-methyl-1,2,4,5,6,7,8,9,10,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthrene-3,17-dione
Molecular Mass 274.398 g·mol−1
Heat of Formation -511.1 ± 16.7 kJ·mol−1
Dipole Moment 2.83 ± 1.08 D
Volume 355.77 Å 3
Surface Area 291.94 Å 2
HOMO Energy -9.80 ± 0.55 eV
LUMO Energy 0.89 ± eV
Point Group Symmetry C1
Synonyms
  • (13s)-13-methyldodecahydro-1h-cyclopenta[a]phenanthrene-3,17(2h,4h)-dione
  • (5s,8r,9r,10s,13s,14s)-13-methyl-1,2,4,5,6,7,8,9,10,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthrene-3,17-dione
  • (5s,8r,9r,10s,13s,14s)-13-methyl-1,2,4,5,6,7,8,9,10,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthrene-3,17-quinone
InChIKey CRDKSBHJIGNEOH-IMRIKWHGSA-N
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