(8S,9S,10R,13S,14S,17S)-17-(3-Ethoxy-2-Propynoyl)-10,13-Dimethyl-1,2,6,7,8,9,10,11,12,13,14,15,16,17-Tetradecahydro-3H-Cyclopenta[A]Phenanthren-3-One

Molecule SVG Image

Properties Simple | Detailed

Formula C24H32O3
IUPAC Name (8s,9s,10r,13s,14s,17s)-17-(3-ethoxyprop-2-ynoyl)-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one
Molecular Mass 368.509 g·mol−1
Heat of Formation -357.8 ± 16.7 kJ·mol−1
Dipole Moment 5.63 ± 1.08 D
Volume 471.44 Å 3
Surface Area 385.76 Å 2
HOMO Energy -9.72 ± 0.55 eV
LUMO Energy 0.06 ± eV
Point Group Symmetry C1
Synonyms
  • (8s,9s,10r,13s,14s,17s)-17-(3-ethoxy-1-oxoprop-2-ynyl)-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one
  • (8s,9s,10r,13s,14s,17s)-17-(3-ethoxyprop-2-ynoyl)-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one
  • (8s,9s,10r,13s,14s,17s)-17-(3-ethoxypropioloyl)-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one
  • 17-(1-oxo-3-ethoxy-2-propynyl)androst-4-en-3-one
  • 17-oepa
CAS Number(s)
  • 104849-33-4
InChIKey CADMMMMZZFLIEP-OCCJOITDSA-N
QR Code Generate QR Code
Links PubChem ChemSpider
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C O