17α-(2-Butynyl)-17Beta-Hydroxyestra-4,9,11-Trien-3-One

Molecule SVG Image

Properties Simple | Detailed

Formula C22H26O2
IUPAC Name (8s,13s,14s,17r)-17-but-2-ynyl-17-hydroxy-13-methyl-1,2,6,7,8,14,15,16-octahydrocyclopenta[a]phenanthren-3-one
Molecular Mass 322.441 g·mol−1
Heat of Formation -120.3 ± 16.7 kJ·mol−1
Dipole Moment 5.96 ± 1.08 D
Volume 408.17 Å 3
Surface Area 344.24 Å 2
HOMO Energy -8.87 ± 0.55 eV
LUMO Energy -0.71 ± eV
Point Group Symmetry C1
Synonyms
  • (
  • )
  • ,
  • -
  • 1
  • 2
  • 3
  • 4
  • 5
  • 6
  • 7
  • 8
  • [
  • ]
  • b
  • d
  • h
  • m
  • o
  • p
  • s
  • u
  • x
  • y
InChIKey AIEAVYYYERHHND-MLNNCEHLSA-N
QR Code Generate QR Code
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C O