4-(Phenylsulfanyl)Androst-4-Ene-3,17-Dione

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Properties Simple | Detailed

Formula C25H30O2S
IUPAC Name (8r,9s,10r,13s,14s)-10,13-dimethyl-4-phenylsulfanyl-2,6,7,8,9,11,12,14,15,16-decahydro-1h-cyclopenta[a]phenanthrene-3,17-dione
Molecular Mass 394.570 g·mol−1
Heat of Formation -317.2 ± 16.7 kJ·mol−1
Dipole Moment 4.56 ± 1.08 D
Volume 485.88 Å 3
Surface Area 380.87 Å 2
HOMO Energy -8.38 ± 0.55 eV
LUMO Energy -0.33 ± eV
Point Group Symmetry C1
Synonyms
  • (8r,9s,10r,13s,14s)-10,13-dimethyl-4-(phenylthio)-2,6,7,8,9,11,12,14,15,16-decahydro-1h-cyclopenta[a]phenanthrene-3,17-dione
  • (8r,9s,10r,13s,14s)-10,13-dimethyl-4-(phenylthio)-2,6,7,8,9,11,12,14,15,16-decahydro-1h-cyclopenta[a]phenanthrene-3,17-quinone
  • (8r,9s,10r,13s,14s)-10,13-dimethyl-4-phenylsulfanyl-2,6,7,8,9,11,12,14,15,16-decahydro-1h-cyclopenta[a]phenanthrene-3,17-dione
  • 4-(phenylthio)-4-androstene-3,17,dione
  • 4-ptad
CAS Number(s)
  • 100513-95-9
InChIKey CLKVUYDHWSHNGQ-BKCLIDBKSA-N
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