7-Phenylandrosta-1,4,6-Triene-3,17-Dione

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Formula C25H26O2
IUPAC Name (8r,9s,10r,13s,14s)-10,13-dimethyl-7-phenyl-9,11,12,14,15,16-hexahydro-8h-cyclopenta[a]phenanthrene-3,17-dione
Molecular Mass 358.473 g·mol−1
Heat of Formation -135.8 ± 16.7 kJ·mol−1
Dipole Moment 5.29 ± 1.08 D
Volume 445.97 Å 3
Surface Area 350.67 Å 2
HOMO Energy -9.45 ± 0.55 eV
LUMO Energy -0.87 ± eV
Point Group Symmetry C1
Synonyms
  • (8r,9s,10r,13s,14s)-10,13-dimethyl-7-phenyl-9,11,12,14,15,16-hexahydro-8h-cyclopenta[a]phenanthrene-3,17-dione
  • (8r,9s,10r,13s,14s)-10,13-dimethyl-7-phenyl-9,11,12,14,15,16-hexahydro-8h-cyclopenta[a]phenanthrene-3,17-quinone
  • 7-patdo
  • 7-phenyl-1,4,6-androstatriene-3,17-dione
  • androsta-1,4,6-triene-3,17-dione, 7-phenyl-
CAS Number(s)
  • 131802-65-8
InChIKey NMLPFJDDIKKFFL-OWUXGNKUSA-N
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