(3α,5Beta)-3,21-Dihydroxy-3-(Trifluoromethyl)-19-Norpregnan-20-One

Molecule SVG Image

Properties Simple | Detailed

Formula C21H31F3O3
IUPAC Name 2-hydroxy-1-[(3r,5r,8r,9r,10s,13s,14s,17s)-3-hydroxy-13-methyl-3-(trifluoromethyl)-2,4,5,6,7,8,9,10,11,12,14,15,16,17-tetradecahydro-1h-cyclopenta[a]phenanthren-17-yl]ethanone
Molecular Mass 388.464 g·mol−1
Heat of Formation -1419.6 ± 16.7 kJ·mol−1
Dipole Moment 2.28 ± 1.08 D
Volume 456.17 Å 3
Surface Area 355.4 Å 2
HOMO Energy -10.29 ± 0.55 eV
LUMO Energy 0.39 ± eV
Point Group Symmetry C1
Synonyms
  • (
  • )
  • ,
  • -
  • 0
  • 1
  • 2
  • 3
  • 4
  • 5
  • 6
  • 7
  • 8
  • 9
  • [
  • ]
  • a
  • c
  • d
  • e
  • f
  • h
  • i
  • l
  • m
  • n
  • o
  • p
  • r
  • s
  • t
  • u
  • x
  • y
InChIKey GNUGUWQBSPMCQI-UDIGXYHRSA-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