(7R,8R,9S,10R,13S,14S,17R)-10,13-Dimethyl-7-(Methylsulfanyl)-1,6,7,8,9,10,11,12,13,14,15,16-Dodecahydro-3'H-Spiro[Cyclopenta[A]Phenanthrene-17,2'-Furan]-3,5'(2H,4'H)-Dione

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Properties Simple | Detailed

Formula C23H32O3S
IUPAC Name (7r,8r,9s,10r,13s,14s,17r)-10,13-dimethyl-7-methylsulfanyl-spiro[2,6,7,8,9,11,12,14,15,16-decahydro-1h-cyclopenta[a]phenanthrene-17,5'-tetrahydrofuran]-2',3-dione
Molecular Mass 388.563 g·mol−1
Heat of Formation -624.9 ± 16.7 kJ·mol−1
Dipole Moment 2.26 ± 1.08 D
Volume 477.67 Å 3
Surface Area 365.2 Å 2
HOMO Energy -8.69 ± 0.55 eV
LUMO Energy -0.03 ± eV
Point Group Symmetry C1
Synonyms
  • (7r,8r,9s,10r,13s,14s,17r)-10,13-dimethyl-7-(methylthio)spiro[2,6,7,8,9,11,12,14,15,16-decahydro-1h-cyclopenta[a]phenanthrene-17,5'-tetrahydrofuran]-2',3-dione
  • (7r,8r,9s,10r,13s,14s,17r)-10,13-dimethyl-7-(methylthio)spiro[2,6,7,8,9,11,12,14,15,16-decahydro-1h-cyclopenta[a]phenanthrene-17,5'-tetrahydrofuran]-2',3-quinone
  • (7r,8r,9s,10r,13s,14s,17r)-10,13-dimethyl-7-methylsulfanyl-spiro[2,6,7,8,9,11,12,14,15,16-decahydro-1h-cyclopenta[a]phenanthrene-17,5'-oxolane]-2',3-dione
  • (7r,8r,9s,10r,13s,14s,17r)-10,13-dimethyl-7-methylsulfanyl-spiro[2,6,7,8,9,11,12,14,15,16-decahydro-1h-cyclopenta[a]phenanthrene-17,5'-tetrahydrofuran]-2',3-dione
  • (7r,8r,9s,10r,13s,14s,17r)-10,13-dimethyl-7-methylsulfanylspiro[2,6,7,8,9,11,12,14,15,16-decahydro-1h-cyclopenta[a]phenanthrene-17,5'-oxolane]-2',3-dione
  • 7-thiomethylspirolactone
  • 7alpha-thiomethyl-sl
  • 7alpha-thiomethylspirolactone
  • 7alpha-thiomethylspironolactone
  • pregn-4-ene-21-carboxylic acid, 17-hydroxy-7-(methylthio)-3-oxo-, gamma-lactone, (7alpha,17alpha)-
CAS Number(s)
  • 38753-77-4
InChIKey FWRDLPQBEOKIRE-RJKHXGPOSA-N
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