(5S,8R,9S,10S,13R,14S,17S)-13-{2-[(3,5-Difluorobenzyl)Oxy]Ethyl}-17-Hydroxy-10-Methylhexadecahydro-3H-Cyclopenta[A]Phenanthren-3-One

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Formula C27H36F2O3
IUPAC Name (5s,8r,9s,10s,13r,14s,17s)-13-[2-[(3,5-difluorophenyl)methoxy]ethyl]-17-hydroxy-10-methyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-one
Molecular Mass 446.570 g·mol−1
Heat of Formation -1034.2 ± 16.7 kJ·mol−1
Dipole Moment 5.12 ± 1.08 D
Volume 542.85 Å 3
Surface Area 409.66 Å 2
HOMO Energy -9.79 ± 0.55 eV
LUMO Energy 2.52 ± eV
Point Group Symmetry C1
Synonyms
  • (5s,8r,9s,10s,13r,14s,17s)-13-[2-(3,5-difluorobenzyl)oxyethyl]-17-hydroxy-10-methyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-one
  • (5s,8r,9s,10s,13r,14s,17s)-13-[2-[(3,5-difluorophenyl)methoxy]ethyl]-17-hydroxy-10-methyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-one
InChIKey AJODXHGZHBERGJ-JLYQOUBASA-N
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