(11β,17β)-11-[4-({5-[(4,4,5,5,5-Pentafluoropentyl)Sulfonyl]Pentyl}Oxy)Phenyl]Estra-1,3,5(10)-Triene-3,17-Diol

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Formula C34H43F5O5S
IUPAC Name (8s,9r,11s,13s,14s,17s)-13-methyl-11-[4-[5-(4,4,5,5,5-pentafluoropentylsulfonyl)pentoxy]phenyl]-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3,17-diol
Molecular Mass 658.759 g·mol−1
Heat of Formation -2001.4 ± 16.7 kJ·mol−1
Dipole Moment 9.39 ± 1.08 D
Volume 761.58 Å 3
Surface Area 617.21 Å 2
HOMO Energy -8.70 ± 0.55 eV
LUMO Energy 0.13 ± eV
Point Group Symmetry C1
Synonyms
  • (8s,9r,11s,13s,14s,17s)-13-methyl-11-[4-[5-(4,4,5,5,5-pentafluoropentylsulfonyl)pentoxy]phenyl]-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3,17-diol
  • ru-58668
InChIKey SDCUWFRXMLQNCS-LFAPAAFUSA-N
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