19-Norcholest-4-En-3-One

Molecule SVG Image

Properties Simple | Detailed

Formula C26H42O
IUPAC Name (8r,9s,10r,13r,14s,17r)-17-[(1r)-1,5-dimethylhexyl]-13-methyl-2,6,7,8,9,10,11,12,14,15,16,17-dodecahydro-1h-cyclopenta[a]phenanthren-3-one
Molecular Mass 370.611 g·mol−1
Heat of Formation -452.8 ± 16.7 kJ·mol−1
Dipole Moment 5.19 ± 1.08 D
Volume 515.35 Å 3
Surface Area 409.8 Å 2
HOMO Energy -9.71 ± 0.55 eV
LUMO Energy 0.09 ± eV
Point Group Symmetry C1
Synonyms
  • (8r,9s,10r,13r,14s,17r)-13-methyl-17-[(2r)-6-methylheptan-2-yl]-2,6,7,8,9,10,11,12,14,15,16,17-dodecahydro-1h-cyclopenta[a]phenanthren-3-one
  • (8r,9s,10r,13r,14s,17r)-17-[(1r)-1,5-dimethylhexyl]-13-methyl-2,6,7,8,9,10,11,12,14,15,16,17-dodecahydro-1h-cyclopenta[a]phenanthren-3-one
CAS Number(s)
  • 3404-22-6
InChIKey GJQWMFNAGHAFDW-DNHZKMRASA-N
QR Code Generate QR Code
Links PubChem ChemSpider
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C O