(8R,9S,10R,13S,14S,17S)-17-Acetyl-6,10,13-Trimethyl-1,2,4,7,8,9,10,11,12,13,14,15,16,17-Tetradecahydrospiro[Cyclopenta[A]Phenanthrene-3,2'-[1,3]Dioxolan]-17-Yl Acetate

Molecule SVG Image

Properties Simple | Detailed

Formula C26H38O5
IUPAC Name [(8'r,9's,10'r,13's,14's,17's)-17'-acetyl-6',10',13'-trimethyl-spiro[1,3-dioxolane-2,3'-2,4,7,8,9,11,12,14,15,16-decahydro-1h-cyclopenta[a]phenanthrene]-17'-yl] acetate
Molecular Mass 430.577 g·mol−1
Heat of Formation -1072.6 ± 16.7 kJ·mol−1
Dipole Moment 3.53 ± 1.08 D
Volume 538.92 Å 3
Surface Area 409.33 Å 2
HOMO Energy -8.78 ± 0.55 eV
LUMO Energy 0.87 ± eV
Point Group Symmetry C1
Synonyms
  • 17-hydroxy-6-methylpregn-5-ene-3,20-dione cyclic 3-(ethylene acetal) acetate
  • [(8'r,9's,10'r,13's,14's,17's)-17'-acetyl-6',10',13'-trimethyl-spiro[1,3-dioxolane-2,3'-2,4,7,8,9,11,12,14,15,16-decahydro-1h-cyclopenta[a]phenanthrene]-17'-yl] acetate
  • [(8'r,9's,10'r,13's,14's,17's)-17'-acetyl-6',10',13'-trimethylspiro[1,3-dioxolane-2,3'-2,4,7,8,9,11,12,14,15,16-decahydro-1h-cyclopenta[a]phenanthrene]-17'-yl] acetate
  • [(8'r,9's,10'r,13's,14's,17's)-17'-ethanoyl-6',10',13'-trimethyl-spiro[1,3-dioxolane-2,3'-2,4,7,8,9,11,12,14,15,16-decahydro-1h-cyclopenta[a]phenanthrene]-17'-yl] ethanoate
  • acetic acid [(8'r,9's,10'r,13's,14's,17's)-17'-acetyl-6',10',13'-trimethyl-17'-spiro[1,3-dioxolane-2,3'-2,4,7,8,9,11,12,14,15,16-decahydro-1h-cyclopenta[a]phenanthrene]yl] ester
  • acetic acid [(8'r,9's,10'r,13's,14's,17's)-17'-acetyl-6',10',13'-trimethyl-spiro[1,3-dioxolane-2,3'-2,4,7,8,9,11,12,14,15,16-decahydro-1h-cyclopenta[a]phenanthrene]-17'-yl] ester
  • edogestrone
  • edogestrone [ban:inn]
  • ph 218
CAS Number(s)
  • 809-01-8
InChIKey UOYMGHSCINLOBK-BAJLYXPQSA-N
QR Code Generate QR Code
Links PubChem ChemSpider
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C O