(7α)-7-[(4-Aminophenyl)Sulfanyl]Androst-4-Ene-3,17-Dione

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Properties Simple | Detailed

Formula C25H31NO2S
IUPAC Name (7r,8r,9s,10r,13s,14s)-7-(4-aminophenyl)sulfanyl-10,13-dimethyl-2,6,7,8,9,11,12,14,15,16-decahydro-1h-cyclopenta[a]phenanthrene-3,17-dione
Molecular Mass 409.584 g·mol−1
Heat of Formation -321.1 ± 16.7 kJ·mol−1
Dipole Moment 5.13 ± 1.08 D
Volume 505.18 Å 3
Surface Area 385.84 Å 2
HOMO Energy -8.43 ± 0.55 eV
LUMO Energy -0.19 ± eV
Point Group Symmetry C1
Synonyms
  • (7r,8r,9s,10r,13s,14s)-7-(4-aminophenyl)sulfanyl-10,13-dimethyl-2,6,7,8,9,11,12,14,15,16-decahydro-1h-cyclopenta[a]phenanthrene-3,17-dione
  • (7r,8r,9s,10r,13s,14s)-7-[(4-aminophenyl)thio]-10,13-dimethyl-2,6,7,8,9,11,12,14,15,16-decahydro-1h-cyclopenta[a]phenanthrene-3,17-dione
  • (7r,8r,9s,10r,13s,14s)-7-[(4-aminophenyl)thio]-10,13-dimethyl-2,6,7,8,9,11,12,14,15,16-decahydro-1h-cyclopenta[a]phenanthrene-3,17-quinone
  • 7-(4'-amino)phenylthioandrostenedione
  • 7alpha-(4'-amino)phenylthio-4-androstene-3,17-dione
  • 7alpha-(4'-amino)phenylthioandrostenedione
  • 7alpha-apta
  • androst-4-ene-3,17-dione, 7-((4-aminophenyl)thio)-, (7alpha)-
  • um 583
CAS Number(s)
  • 67340-72-1
InChIKey OFMCSMLOQKMMIX-RGJWXQDMSA-N
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