Estr-5-Ene-3,17-Dione

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Properties Simple | Detailed

Formula C18H24O2
IUPAC Name (8r,9s,10r,13s,14s)-13-methyl-1,2,4,7,8,9,10,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthrene-3,17-dione
Molecular Mass 272.382 g·mol−1
Heat of Formation -421.7 ± 16.7 kJ·mol−1
Dipole Moment 2.39 ± 1.08 D
Volume 347.92 Å 3
Surface Area 289.42 Å 2
HOMO Energy -9.55 ± 0.55 eV
LUMO Energy 0.82 ± eV
Point Group Symmetry C1
Synonyms
  • (8r,9s,10r,13s,14s)-13-methyl-1,2,4,7,8,9,10,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthrene-3,17-dione
  • (8r,9s,10r,13s,14s)-13-methyl-1,2,4,7,8,9,10,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthrene-3,17-quinone
InChIKey WELNRNVZXWUOGT-QXUSFIETSA-N
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