(17β)-3-[(Trimethylsilyl)Oxy]Estra-1,3,5(10)-Trien-17-Yl Heptafluorobutanoate

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Properties Simple | Detailed

Formula C25H31F7O3Si
IUPAC Name [(8r,9s,13s,14s,17s)-13-methyl-3-trimethylsilyloxy-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl] 2,2,3,3,4,4,4-heptafluorobutanoate
Molecular Mass 540.586 g·mol−1
Heat of Formation -2279.2 ± 16.7 kJ·mol−1
Dipole Moment 4.56 ± 1.08 D
Volume 603.22 Å 3
Surface Area 472.67 Å 2
HOMO Energy -8.78 ± 0.55 eV
LUMO Energy -0.22 ± eV
Point Group Symmetry C1
Synonyms
  • 2,2,3,3,4,4,4-heptafluorobutanoic acid [(8r,9s,13s,14s,17s)-13-methyl-3-trimethylsilyloxy-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl] ester
  • 2,2,3,3,4,4,4-heptafluorobutyric acid [(8r,9s,13s,14s,17s)-13-methyl-3-trimethylsilyloxy-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl] ester
  • [(8r,9s,13s,14s,17s)-13-methyl-3-trimethylsilyloxy-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl] 2,2,3,3,4,4,4-heptafluorobutanoate
  • estra-1,3,5(10)-trien-17-ol, 3-((trimethylsilyl)oxy)-, heptafluorobutanoate, (17beta)-
  • estradiol-3-trimethylsilyl ether-17-heptafluorobutyrate
CAS Number(s)
  • 120623-45-2
InChIKey SKCZEAZINGMGHC-KOVVAJLHSA-N
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Elements H Si C O F