(7α)-7-[(4-Aminophenyl)Sulfanyl]Androsta-1,4-Diene-3,17-Dione

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Properties Simple | Detailed

Formula C25H29NO2S
IUPAC Name (7r,8r,9s,10r,13s,14s)-7-(4-aminophenyl)sulfanyl-10,13-dimethyl-7,8,9,11,12,14,15,16-octahydro-6h-cyclopenta[a]phenanthrene-3,17-dione
Molecular Mass 407.568 g·mol−1
Heat of Formation -212.7 ± 16.7 kJ·mol−1
Dipole Moment 5.51 ± 1.08 D
Volume 496.82 Å 3
Surface Area 380.35 Å 2
HOMO Energy -8.35 ± 0.55 eV
LUMO Energy -0.41 ± eV
Point Group Symmetry C1
Synonyms
  • (7r,8r,9s,10r,13s,14s)-7-(4-aminophenyl)sulfanyl-10,13-dimethyl-7,8,9,11,12,14,15,16-octahydro-6h-cyclopenta[a]phenanthrene-3,17-dione
  • (7r,8r,9s,10r,13s,14s)-7-[(4-aminophenyl)thio]-10,13-dimethyl-7,8,9,11,12,14,15,16-octahydro-6h-cyclopenta[a]phenanthrene-3,17-dione
  • (7r,8r,9s,10r,13s,14s)-7-[(4-aminophenyl)thio]-10,13-dimethyl-7,8,9,11,12,14,15,16-octahydro-6h-cyclopenta[a]phenanthrene-3,17-quinone
  • 7-((4'-aminophenyl)thio)-1,4-androstadiene-3,17-dione
  • 7-aptadd
  • 7alpha-(4'-amino)phenylthio-1,4-androstadiene-3,17-dione
  • androsta-1,4-diene-3,17-dione, 7-((4-aminophenyl)thio)-, (7alpha)-
CAS Number(s)
  • 110325-37-6
InChIKey LJFZXLQZUJKMRI-RGJWXQDMSA-N
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