(24R)-Ergost-4-En-3-One

Molecule SVG Image

Properties Simple | Detailed

Formula C28H46O
IUPAC Name (8s,9s,10r,13r,14s,17r)-10,13-dimethyl-17-[(1r,4r)-1,4,5-trimethylhexyl]-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one
Molecular Mass 398.664 g·mol−1
Heat of Formation -496.0 ± 16.7 kJ·mol−1
Dipole Moment 5.22 ± 1.08 D
Volume 555.24 Å 3
Surface Area 432.75 Å 2
HOMO Energy -9.70 ± 0.55 eV
LUMO Energy 0.09 ± eV
Point Group Symmetry C1
Synonyms
  • (8s,9s,10r,13r,14s,17r)-10,13-dimethyl-17-[(1r,4r)-1,4,5-trimethylhexyl]-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one
  • (8s,9s,10r,13r,14s,17r)-17-[(2r,5r)-5,6-dimethylheptan-2-yl]-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one
  • campest-4-en-3-one
  • lmst01030122
InChIKey QQIOPZFVTIHASB-IMUDCKKOSA-N
QR Code Generate QR Code
Links PubChem ChemSpider
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C O