7α,12Beta-Dihydroxyandrosta-1,4-Diene-3,17-Dione

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Properties Simple | Detailed

Formula C19H24O4
IUPAC Name (7r,8r,9s,10r,12r,13r,14s)-7,12-dihydroxy-10,13-dimethyl-7,8,9,11,12,14,15,16-octahydro-6h-cyclopenta[a]phenanthrene-3,17-dione
Molecular Mass 316.391 g·mol−1
Heat of Formation -690.7 ± 16.7 kJ·mol−1
Dipole Moment 5.10 ± 1.08 D
Volume 379.42 Å 3
Surface Area 301.14 Å 2
HOMO Energy -10.09 ± 0.55 eV
LUMO Energy -0.74 ± eV
Point Group Symmetry C1
Synonyms
  • (7alpha,12beta)-7,12-dihydroxyandrosta-1,4-diene-3,17-dione
  • (7r,8r,9s,10r,12r,13r,14s)-7,12-dihydroxy-10,13-dimethyl-7,8,9,11,12,14,15,16-octahydro-6h-cyclopenta[a]phenanthrene-3,17-dione
  • (7r,8r,9s,10r,12r,13r,14s)-7,12-dihydroxy-10,13-dimethyl-7,8,9,11,12,14,15,16-octahydro-6h-cyclopenta[a]phenanthrene-3,17-quinone
  • 7,12-dihydroxyandrosta-1,4-diene-3,17-dione
CAS Number(s)
  • 70608-75-2
InChIKey BWQVWSWLOMBYLM-USYVIYLSSA-N
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