Methyl (7R,8R,9S,10R,13S,14S,17R)-10,13-Dimethyl-3,5'-Dioxo-Spiro[7,8,9,11,12,14,15,16-Octahydro-6H-Cyclopenta[A]Phenanthrene-17,2'-Tetrahydrofuran]-7-Carboxylate

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Properties Simple | Detailed

Formula C24H30O5
IUPAC Name methyl (7r,8r,9s,10r,13s,14s,17r)-10,13-dimethyl-3,5'-dioxo-spiro[7,8,9,11,12,14,15,16-octahydro-6h-cyclopenta[a]phenanthrene-17,2'-tetrahydrofuran]-7-carboxylate
Molecular Mass 398.492 g·mol−1
Heat of Formation -890.0 ± 16.7 kJ·mol−1
Dipole Moment 2.55 ± 1.08 D
Volume 479.42 Å 3
Surface Area 369.54 Å 2
HOMO Energy -9.92 ± 0.55 eV
LUMO Energy -0.54 ± eV
Point Group Symmetry C1
Synonyms
  • (7r,8r,9s,10r,13s,14s,17r)-10,13-dimethyl-3,5'-dioxo-7-spiro[7,8,9,11,12,14,15,16-octahydro-6h-cyclopenta[a]phenanthrene-17,2'-tetrahydrofuran]carboxylic acid methyl ester
  • (7r,8r,9s,10r,13s,14s,17r)-3,5'-diketo-10,13-dimethyl-spiro[7,8,9,11,12,14,15,16-octahydro-6h-cyclopenta[a]phenanthrene-17,2'-tetrahydrofuran]-7-carboxylic acid methyl ester
  • methyl (7r,8r,9s,10r,13s,14s,17r)-10,13-dimethyl-3,5'-dioxo-spiro[7,8,9,11,12,14,15,16-octahydro-6h-cyclopenta[a]phenanthrene-17,2'-oxolane]-7-carboxylate
  • methyl (7r,8r,9s,10r,13s,14s,17r)-10,13-dimethyl-3,5'-dioxo-spiro[7,8,9,11,12,14,15,16-octahydro-6h-cyclopenta[a]phenanthrene-17,2'-tetrahydrofuran]-7-carboxylate
InChIKey ZJCWKMFNSUPXDJ-RGKMBJPFSA-N
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