(4A,5A,17B)-4,5-Epoxy-3,17-Dihydroxy-4,17-Dimethylandrost-2-Ene-2-Carbonitrile

Molecule SVG Image

Properties Simple | Detailed

Formula C22H31NO3
IUPAC Name (4a,5a,17b)-4,5-epoxy-3,17-dihydroxy-4,17-dimethylandrost-2-ene-2-carbonitrile
Molecular Mass 357.486 g·mol−1
Heat of Formation -485.8 ± 16.7 kJ·mol−1
Dipole Moment 4.86 ± 1.08 D
Volume 447.88 Å 3
Surface Area 349.26 Å 2
HOMO Energy -9.58 ± 0.55 eV
LUMO Energy -0.34 ± eV
Point Group Symmetry C1
Synonyms
  • -
  • 2
  • 3
  • 7
  • 9
  • n
  • w
InChIKey CETKWEWBSMKADK-GSXVSZIWSA-N
QR Code Generate QR Code
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C O N