(16α)-16-Ethyl-3,20-Dioxo-19-Norpregn-4-En-21-Al

Molecule SVG Image

Properties Simple | Detailed

Formula C22H30O3
IUPAC Name 2-[(8r,9s,10r,13s,14s,16r,17s)-16-ethyl-13-methyl-3-oxo-2,6,7,8,9,10,11,12,14,15,16,17-dodecahydro-1h-cyclopenta[a]phenanthren-17-yl]-2-oxo-acetaldehyde
Molecular Mass 342.472 g·mol−1
Heat of Formation -545.1 ± 16.7 kJ·mol−1
Dipole Moment 1.49 ± 1.08 D
Volume 441.33 Å 3
Surface Area 348.63 Å 2
HOMO Energy -9.77 ± 0.55 eV
LUMO Energy -0.65 ± eV
Point Group Symmetry C1
Synonyms
  • 16alpha-ethyl-19-nor-4-pregnene-3,20-dione-21-al
  • 19-norpregn-4-en-21-al, 16-ethyl-3,20-dioxo-, (16alpha)-
  • 2-[(8r,9s,10r,13s,14s,16r,17s)-16-ethyl-13-methyl-3-oxo-2,6,7,8,9,10,11,12,14,15,16,17-dodecahydro-1h-cyclopenta[a]phenanthren-17-yl]-2-oxo-acetaldehyde
  • 2-[(8r,9s,10r,13s,14s,16r,17s)-16-ethyl-13-methyl-3-oxo-2,6,7,8,9,10,11,12,14,15,16,17-dodecahydro-1h-cyclopenta[a]phenanthren-17-yl]-2-oxo-ethanal
  • 2-[(8r,9s,10r,13s,14s,16r,17s)-16-ethyl-13-methyl-3-oxo-2,6,7,8,9,10,11,12,14,15,16,17-dodecahydro-1h-cyclopenta[a]phenanthren-17-yl]-2-oxoacetaldehyde
  • 2-[(8r,9s,10r,13s,14s,16r,17s)-16-ethyl-3-keto-13-methyl-2,6,7,8,9,10,11,12,14,15,16,17-dodecahydro-1h-cyclopenta[a]phenanthren-17-yl]-2-keto-acetaldehyde
  • 21-dehydro-org 2058
CAS Number(s)
  • 92278-27-8
InChIKey RROVGWBXZUVKCK-BILPMHSYSA-N
QR Code Generate QR Code
Links PubChem ChemSpider
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C O