Estra-4,9(11)-Diene-3,17-Dione, 10-(2-(Methylthio)Ethyl)-

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Formula C21H28O2S
IUPAC Name (8s,10r,13s,14s)-13-methyl-10-(2-methylsulfanylethyl)-2,6,7,8,12,14,15,16-octahydro-1h-cyclopenta[a]phenanthrene-3,17-dione
Molecular Mass 344.511 g·mol−1
Heat of Formation -352.9 ± 16.7 kJ·mol−1
Dipole Moment 4.73 ± 1.08 D
Volume 433.55 Å 3
Surface Area 338.31 Å 2
HOMO Energy -8.65 ± 0.55 eV
LUMO Energy -0.19 ± eV
Point Group Symmetry C1
Synonyms
  • (8s,10r,13s,14s)-13-methyl-10-(2-methylsulfanylethyl)-2,6,7,8,12,14,15,16-octahydro-1h-cyclopenta[a]phenanthrene-3,17-dione
  • (8s,10r,13s,14s)-13-methyl-10-[2-(methylthio)ethyl]-2,6,7,8,12,14,15,16-octahydro-1h-cyclopenta[a]phenanthrene-3,17-dione
  • (8s,10r,13s,14s)-13-methyl-10-[2-(methylthio)ethyl]-2,6,7,8,12,14,15,16-octahydro-1h-cyclopenta[a]phenanthrene-3,17-quinone
InChIKey JKOMPAPOBLVXKS-IDPBPBMLSA-N
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