4-Hydroxy-2,2-Dimethylandrost-4-Ene-3,17-Dione

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Properties Simple | Detailed

Formula C21H30O3
IUPAC Name (8r,9s,10r,13s,14s)-4-hydroxy-2,2,10,13-tetramethyl-1,6,7,8,9,11,12,14,15,16-decahydrocyclopenta[a]phenanthrene-3,17-dione
Molecular Mass 330.461 g·mol−1
Heat of Formation -657.6 ± 16.7 kJ·mol−1
Dipole Moment 2.43 ± 1.08 D
Volume 416.65 Å 3
Surface Area 327.69 Å 2
HOMO Energy -9.15 ± 0.55 eV
LUMO Energy -0.19 ± eV
Point Group Symmetry C1
Synonyms
  • (8r,9s,10r,13s,14s)-4-hydroxy-2,2,10,13-tetramethyl-1,6,7,8,9,11,12,14,15,16-decahydrocyclopenta[a]phenanthrene-3,17-dione
  • (8r,9s,10r,13s,14s)-4-hydroxy-2,2,10,13-tetramethyl-1,6,7,8,9,11,12,14,15,16-decahydrocyclopenta[a]phenanthrene-3,17-quinone
  • 2,2-dhad
  • 2,2-dimethyl-4-hydroxy-4-androstene-3,17-dione
CAS Number(s)
  • 132609-68-8
InChIKey GASOXWYLNQSLDI-SVYLRGBCSA-N
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