(7α,17Beta)-7-(5-Fluoropentyl)Estra-1,3,5(10)-Triene-3,17-Diol

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Properties Simple | Detailed

Formula C23H33FO2
IUPAC Name (7r,8r,9s,13s,14s,17s)-7-(5-fluoropentyl)-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3,17-diol
Molecular Mass 360.505 g·mol−1
Heat of Formation -694.3 ± 16.7 kJ·mol−1
Dipole Moment 2.69 ± 1.08 D
Volume 461.34 Å 3
Surface Area 384.41 Å 2
HOMO Energy -8.80 ± 0.55 eV
LUMO Energy 0.24 ± eV
Point Group Symmetry C1
Synonyms
  • (7r,8r,9s,13s,14s,17s)-7-(5-fluoropentyl)-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3,17-diol
  • 7-(5-fluoropentyl)estradiol
CAS Number(s)
  • 150187-33-0
InChIKey BMKNHWLYRPVVGC-LSFZQJMJSA-N
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