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

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Properties Simple | Detailed

Formula C26H28O2
IUPAC Name (8r,9s,10r,13s,14s)-7-benzyl-10,13-dimethyl-9,11,12,14,15,16-hexahydro-8h-cyclopenta[a]phenanthrene-3,17-dione
Molecular Mass 372.499 g·mol−1
Heat of Formation -148.9 ± 16.7 kJ·mol−1
Dipole Moment 5.61 ± 1.08 D
Volume 467.82 Å 3
Surface Area 373.25 Å 2
HOMO Energy -9.36 ± 0.55 eV
LUMO Energy -0.70 ± eV
Point Group Symmetry C1
Synonyms
  • (8r,9s,10r,13s,14s)-10,13-dimethyl-7-(phenylmethyl)-9,11,12,14,15,16-hexahydro-8h-cyclopenta[a]phenanthrene-3,17-dione
  • (8r,9s,10r,13s,14s)-7-(benzyl)-10,13-dimethyl-9,11,12,14,15,16-hexahydro-8h-cyclopenta[a]phenanthrene-3,17-quinone
  • 7-batdo
  • 7-benzyl-1,4,6-androstatriene-3,17-dione
  • androsta-1,4,6-triene-3,17-dione, 7-(phenylmethyl)-
CAS Number(s)
  • 131802-66-9
InChIKey TZJKJQQPVWTQSG-AEFDYNLKSA-N
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