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

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Properties Simple | Detailed

Formula C19H26O4
IUPAC Name (6r,8r,9s,10r,13s,14s)-6-hydroperoxy-10,13-dimethyl-2,6,7,8,9,11,12,14,15,16-decahydro-1h-cyclopenta[a]phenanthrene-3,17-dione
Molecular Mass 318.407 g·mol−1
Heat of Formation -513.3 ± 16.7 kJ·mol−1
Dipole Moment 2.22 ± 1.08 D
Volume 389.95 Å 3
Surface Area 310.36 Å 2
HOMO Energy -9.90 ± 0.55 eV
LUMO Energy -0.43 ± eV
Point Group Symmetry C1
Synonyms
  • (6r,8r,9s,10r,13s,14s)-6-hydroperoxy-10,13-dimethyl-2,6,7,8,9,11,12,14,15,16-decahydro-1h-cyclopenta[a]phenanthrene-3,17-dione
  • (6r,8r,9s,10r,13s,14s)-6-hydroperoxy-10,13-dimethyl-2,6,7,8,9,11,12,14,15,16-decahydro-1h-cyclopenta[a]phenanthrene-3,17-quinone
  • 6-hpoa
  • 6-hydroperoxyandrost-4-ene-3,17-dione
  • 6beta-hydroperoxyandrostenedione
  • androst-4-ene-3,17-dione, 6-hydroperoxy-, (6beta)-
CAS Number(s)
  • 65179-39-7
InChIKey FBOCNWNFNUYGLD-DQXCSHPPSA-N
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