12-Hydroxyandrosta-1,4-Diene-3,17-Dione

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Properties Simple | Detailed

Formula C19H24O3
IUPAC Name (8r,9s,10r,12r,13r,14s)-12-hydroxy-10,13-dimethyl-7,8,9,11,12,14,15,16-octahydro-6h-cyclopenta[a]phenanthrene-3,17-dione
Molecular Mass 300.392 g·mol−1
Heat of Formation -510.1 ± 16.7 kJ·mol−1
Dipole Moment 5.74 ± 1.08 D
Volume 370.48 Å 3
Surface Area 297.34 Å 2
HOMO Energy -9.92 ± 0.55 eV
LUMO Energy -0.54 ± eV
Point Group Symmetry C1
Synonyms
  • (8r,9s,10r,12r,13r,14s)-12-hydroxy-10,13-dimethyl-7,8,9,11,12,14,15,16-octahydro-6h-cyclopenta[a]phenanthrene-3,17-dione
  • (8r,9s,10r,12r,13r,14s)-12-hydroxy-10,13-dimethyl-7,8,9,11,12,14,15,16-octahydro-6h-cyclopenta[a]phenanthrene-3,17-quinone
InChIKey ZHWCPUFUYVTHSO-KCZNZURUSA-N
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