(8R,9S,10R,13S,14S,17R)-13-Methyl-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 C21H28O3
IUPAC Name (8r,9s,10r,13s,14s,17r)-13-methylspiro[1,2,6,7,8,9,10,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthrene-17,5'-tetrahydrofuran]-2',3-dione
Molecular Mass 328.445 g·mol−1
Heat of Formation -628.1 ± 16.7 kJ·mol−1
Dipole Moment 2.81 ± 1.08 D
Volume 408.16 Å 3
Surface Area 330.48 Å 2
HOMO Energy -9.85 ± 0.55 eV
LUMO Energy -0.07 ± eV
Point Group Symmetry C1
Synonyms
  • (8r,9s,10r,13s,14s,17r)-13-methylspiro[1,2,6,7,8,9,10,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthrene-17,5'-oxolane]-2',3-dione
  • (8r,9s,10r,13s,14s,17r)-13-methylspiro[1,2,6,7,8,9,10,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthrene-17,5'-tetrahydrofuran]-2',3-dione
  • (8r,9s,10r,13s,14s,17r)-13-methylspiro[1,2,6,7,8,9,10,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthrene-17,5'-tetrahydrofuran]-2',3-quinone
  • 19-nor-17.alpha.-pregn-4-ene-21-carboxylic acid, 17-hydroxy-3-oxo-, .gamma.-lactone
  • 19-nor-17alpha-pregn-4-ene-21-carboxylic acid, 17-hydroxy-3-oxo-, gamma-lactone (8ci)
  • 19-norpregn-4-ene-21-carboxylic acid, 17-hydroxy-3-oxo-, .gamma.-lactone, (17.alpha.)-
  • 19-norpregn-4-ene-21-carboxylic acid, 17-hydroxy-3-oxo-, gamma-lactone, (17alpha)- (9ci)
  • sc 8109
CAS Number(s)
  • 1722-54-9
InChIKey CXXAIOQMCGJVHT-XUJOMZSTSA-N
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