(11β,17Alpha)-17-Hydroxy-11-(2-Thienyl)-19-Norpregna-4,9-Dien-20-Yn-3-One

Molecule SVG Image

Properties Simple | Detailed

Formula C24H26O2S
IUPAC Name (8s,11s,13s,14s,17r)-17-ethynyl-17-hydroxy-13-methyl-11-(2-thienyl)-1,2,6,7,8,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-3-one
Molecular Mass 378.527 g·mol−1
Heat of Formation -2.1 ± 16.7 kJ·mol−1
Dipole Moment 4.80 ± 1.08 D
Volume 448.07 Å 3
Surface Area 351.79 Å 2
HOMO Energy -9.09 ± 0.55 eV
LUMO Energy -0.45 ± eV
Point Group Symmetry C1
Synonyms
  • (8s,11s,13s,14s,17r)-17-ethynyl-17-hydroxy-13-methyl-11-(2-thienyl)-1,2,6,7,8,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-3-one
  • (8s,11s,13s,14s,17r)-17-ethynyl-17-hydroxy-13-methyl-11-thiophen-2-yl-1,2,6,7,8,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-3-one
  • 11-thienyl-17-ethynyl-19-norandrosta-4,9-dien-17-ol-3-one
  • 17-hydroxy-11-(2-thienyl)-19-norpregna-4,9-dien-20-yn-3-one
  • 19-norpregna-4,9-dien-20-yn-3-one, 17-hydroxy-11-(2-thienyl)-, (11beta,17alpha)-
  • ru 25055
  • ru-25055
CAS Number(s)
  • 67983-56-6
InChIKey VXJUEZQVBUJYLC-MLNGRUJYSA-N
QR Code Generate QR Code
Links PubChem ChemSpider
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H S C O