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

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Properties Simple | Detailed

Formula C22H30O3
IUPAC Name (8s,9s,11s,13s,14s,17r)-11,13-dimethylspiro[1,2,4,6,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthrene-17,5'-tetrahydrofuran]-2',3-dione
Molecular Mass 342.472 g·mol−1
Heat of Formation -650.7 ± 16.7 kJ·mol−1
Dipole Moment 3.70 ± 1.08 D
Volume 427.51 Å 3
Surface Area 337.45 Å 2
HOMO Energy -9.32 ± 0.55 eV
LUMO Energy 0.83 ± eV
Point Group Symmetry C1
Synonyms
  • (8s,9s,11s,13s,14s,17r)-11,13-dimethylspiro[1,2,4,6,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthrene-17,5'-oxolane]-2',3-dione
  • (8s,9s,11s,13s,14s,17r)-11,13-dimethylspiro[1,2,4,6,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthrene-17,5'-tetrahydrofuran]-2',3-dione
  • (8s,9s,11s,13s,14s,17r)-11,13-dimethylspiro[1,2,4,6,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthrene-17,5'-tetrahydrofuran]-2',3-quinone
  • 19-norpregn-5(10)-ene-21-carboxylic acid, 17-hydroxy-11-methyl-3-oxo-, gamma-lactone, (11beta,17alpha)-
  • 3-(3-oxo-11beta-methyl-17beta-hydroxyestr-5(10)-en-17alpha-yl)propionic acid gamma-lactone
  • sc 19773
  • sc-19773
CAS Number(s)
  • 24130-06-1
InChIKey FRKIXTBNCNJWNC-AXZLQSOESA-N
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