1,4-Androstadiene-3,11,17-Trione

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Formula C19H22O3
IUPAC Name (8s,9s,10r,13s,14s)-10,13-dimethyl-6,7,8,9,12,14,15,16-octahydrocyclopenta[a]phenanthrene-3,11,17-trione
Molecular Mass 298.376 g·mol−1
Heat of Formation -456.9 ± 16.7 kJ·mol−1
Dipole Moment 6.30 ± 1.08 D
Volume 364.88 Å 3
Surface Area 293.72 Å 2
HOMO Energy -9.86 ± 0.55 eV
LUMO Energy -0.51 ± eV
Point Group Symmetry C1
Synonyms
  • (8s,9s,10r,13s,14s)-10,13-dimethyl-6,7,8,9,12,14,15,16-octahydrocyclopenta[a]phenanthrene-3,11,17-trione
  • androsta-1,4-diene-3,11,17-trione
CAS Number(s)
  • 7738-93-4
InChIKey RZACPWSZIQKVDY-IRIMSJTPSA-N
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