(1R,3As,3Br,7As,8Ar,8Br,8Cr,10As)-1-Acetyl-1-Ethoxy-5-Fluoro-8B,10A-Dimethyl-2,3,3A,3B,7A,8,8A,8B,8C,9,10,10A-Dodecahydrocyclopenta[A]Cyclopropa[G]Phenanthren-7(1H)-One

Molecule SVG Image

Properties Simple | Detailed

Formula C24H31FO3
IUPAC Name (1r,3as,3br,7as,8ar,8br,8cr,10as)-1-acetyl-1-ethoxy-5-fluoro-8b,10a-dimethyl-2,3,3a,3b,7a,8,8a,8b,8c,9,10,10a-dodecahydrocyclopenta[a]cyclopropa[g]phenanthren-7(1h)-one
Molecular Mass 386.500 g·mol−1
Heat of Formation -627.6 ± 16.7 kJ·mol−1
Dipole Moment 4.73 ± 1.08 D
Volume 473.48 Å 3
Surface Area 359.72 Å 2
HOMO Energy -9.61 ± 0.55 eV
LUMO Energy -0.77 ± eV
Point Group Symmetry C1
Synonyms
  • 17-ethoxy-6-fluoro-1alpha,2alpha-dihydro-3'h-cyclopropan-(1,2)-9beta,10alpha-pregna-1,4,6-triene-3,20-dione
  • 3'h-cyclopropa(1,2)pregna-1,4,6-triene-3,20-dione, 17-ethoxy-6-fluoro-1,2-dihydro-, (1alpha,2alpha,9beta,10alpha)-
  • du 41274
  • du-41274
CAS Number(s)
  • 67580-43-2
InChIKey NWSNREXWGNWKBT-QHAUNDHQSA-N
QR Code Generate QR Code
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C O F