(16α,17α)-16-Fluoro-19-Norpregna-1,3,5(10)-Trien-20-Yne-3,17-Diol

Molecule SVG Image

Properties Simple | Detailed

Formula C20H23FO2
IUPAC Name (8r,9s,13s,14s,16r,17r)-17-ethynyl-16-fluoro-13-methyl-7,8,9,11,12,14,15,16-octahydro-6h-cyclopenta[a]phenanthrene-3,17-diol
Molecular Mass 314.394 g·mol−1
Heat of Formation -358.5 ± 16.7 kJ·mol−1
Dipole Moment 1.48 ± 1.08 D
Volume 379.91 Å 3
Surface Area 313.06 Å 2
HOMO Energy -8.86 ± 0.55 eV
LUMO Energy 0.14 ± eV
Point Group Symmetry C1
Synonyms
  • (8r,9s,13s,14s,16r,17r)-17-ethynyl-16-fluoro-13-methyl-7,8,9,11,12,14,15,16-octahydro-6h-cyclopenta[a]phenanthrene-3,17-diol
  • 17-ethynyl-16-fluoroestradiol
  • 17-ethynyl-fes
  • 19-norpregna-1,3,5(10)-trien-20-yne-3,17-diol, 16-fluoro-, (16alpha,17alpha)-
CAS Number(s)
  • 92817-14-6
InChIKey IFDRGXJMFGLUCN-NADOGSGZSA-N
QR Code Generate QR Code
Links PubChem ChemSpider
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C O F