(8R,9R,10S,13S,14S,17S)-17-Hydroxy-10,13-Dimethyl-17-(2-Methyl-2-Propen-1-Yl)-1,2,6,7,8,9,10,11,12,13,14,15,16,17-Tetradecahydro-3H-Cyclopenta[A]Phenanthren-3-One

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Properties Simple | Detailed

Formula C23H34O2
IUPAC Name (8r,9r,10s,13s,14s,17s)-17-hydroxy-10,13-dimethyl-17-(2-methylallyl)-2,6,7,8,9,11,12,14,15,16-decahydro-1h-cyclopenta[a]phenanthren-3-one
Molecular Mass 342.515 g·mol−1
Heat of Formation -460.9 ± 16.7 kJ·mol−1
Dipole Moment 5.28 ± 1.08 D
Volume 450.87 Å 3
Surface Area 349.33 Å 2
HOMO Energy -9.66 ± 0.55 eV
LUMO Energy 0.09 ± eV
Point Group Symmetry C1
Synonyms
  • (8r,9r,10s,13s,14s,17s)-17-hydroxy-10,13-dimethyl-17-(2-methylprop-2-enyl)-2,6,7,8,9,11,12,14,15,16-decahydro-1h-cyclopenta[a]phenanthren-3-one
  • (9beta,10alpha,17beta)-17-hydroxy-17-(2-methyl-2-propenyl)androst-4-en-3-one
  • 17-alpha-(2'-methallyl)-9-beta,10-alpha-androst-4-en-17-ol-3-one
  • 17-alpha-(2-methallyl)retrotestosterone
  • 17-beta-hydroxy-17-(2-methylallyl)-9-beta,10-alpha-androst-4-en-3-one
  • 9-beta,10-alpha-androst-4-en-3-one, 17-beta-hydroxy-17-(2-methylallyl)-
  • androst-4-en-3-one, 17-hydroxy-17-(2-methyl-2-propenyl)-, (9-beta,10-alpha,17-beta)- (9ci)
  • sap 104
CAS Number(s)
  • 2824-50-2
InChIKey OZDOVJZRBPOFNH-PZORDLPLSA-N
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