(6α)-6-(~18~F)Fluoropregn-4-Ene-3,20-Dione

Molecule SVG Image

Properties Simple | Detailed

Formula C21H29FO2
IUPAC Name (6s,8s,9s,10r,13s,14s,17s)-17-acetyl-6-fluoro-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one
Molecular Mass 331.455 g·mol−1
Heat of Formation -658.8 ± 16.7 kJ·mol−1
Dipole Moment 4.36 ± 1.08 D
Volume 416.33 Å 3
Surface Area 327.46 Å 2
HOMO Energy -9.94 ± 0.55 eV
LUMO Energy 2.79 ± eV
Point Group Symmetry C1
Synonyms
  • 0
  • 1
  • 6
  • i
  • l
  • m
  • o
InChIKey UZROOFLUFHWOJQ-WAUWVLFQSA-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