(3β)-3-Hydroxyandrost-4-Ene-6,17-Dione

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Properties Simple | Detailed

Formula C19H26O3
IUPAC Name (3s,8r,9s,10r,13s,14s)-3-hydroxy-10,13-dimethyl-2,3,7,8,9,11,12,14,15,16-decahydro-1h-cyclopenta[a]phenanthrene-6,17-dione
Molecular Mass 302.408 g·mol−1
Heat of Formation -597.5 ± 16.7 kJ·mol−1
Dipole Moment 2.67 ± 1.08 D
Volume 378.37 Å 3
Surface Area 305.41 Å 2
HOMO Energy -9.83 ± 0.55 eV
LUMO Energy 0.04 ± eV
Point Group Symmetry C1
Synonyms
  • (3s,8r,9s,10r,13s,14s)-3-hydroxy-10,13-dimethyl-2,3,7,8,9,11,12,14,15,16-decahydro-1h-cyclopenta[a]phenanthrene-6,17-dione
  • (3s,8r,9s,10r,13s,14s)-3-hydroxy-10,13-dimethyl-2,3,7,8,9,11,12,14,15,16-decahydro-1h-cyclopenta[a]phenanthrene-6,17-quinone
  • 3-hydroxyandrost-4-ene-6,17-dione
  • 3-oh-androstene-6,17-dione
CAS Number(s)
  • 18386-45-3
InChIKey ARAPFCZLRWLJAA-LZBOESDWSA-N
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