(6α)-6-Methyl-3,20-Dioxopregna-1,4,9(11)-Trien-17-Yl Acetate

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Properties Simple | Detailed

Formula C24H30O4
IUPAC Name [(6s,8s,10r,13s,14s,17r)-17-acetyl-6,10,13-trimethyl-3-oxo-7,8,12,14,15,16-hexahydro-6h-cyclopenta[a]phenanthren-17-yl] acetate
Molecular Mass 382.493 g·mol−1
Heat of Formation -678.9 ± 16.7 kJ·mol−1
Dipole Moment 1.23 ± 1.08 D
Volume 474.77 Å 3
Surface Area 369.22 Å 2
HOMO Energy -9.75 ± 0.55 eV
LUMO Energy -0.45 ± eV
Point Group Symmetry C1
Synonyms
  • (6alpha)-17-(acetyloxy)-6-methylpregna-1,4,9(11)-triene-3,20-dione
  • 6-alpha-methyl-3,20-oxo-1,4,9(11)-pregnatrien-17-alpha-yl acetate
  • 6-methyl-3,20-dioxo-1,4,9(11)-pregnatrien-17-acetate
  • 6-mopta
  • [(6s,8s,10r,13s,14s,17r)-17-acetyl-6,10,13-trimethyl-3-oxo-7,8,12,14,15,16-hexahydro-6h-cyclopenta[a]phenanthren-17-yl] acetate
  • [(6s,8s,10r,13s,14s,17r)-17-ethanoyl-6,10,13-trimethyl-3-oxo-7,8,12,14,15,16-hexahydro-6h-cyclopenta[a]phenanthren-17-yl] ethanoate
  • acetic acid [(6s,8s,10r,13s,14s,17r)-17-acetyl-3-keto-6,10,13-trimethyl-7,8,12,14,15,16-hexahydro-6h-cyclopenta[a]phenanthren-17-yl] ester
  • acetic acid [(6s,8s,10r,13s,14s,17r)-17-acetyl-6,10,13-trimethyl-3-oxo-7,8,12,14,15,16-hexahydro-6h-cyclopenta[a]phenanthren-17-yl] ester
  • pregna-1,4,9(11)-triene-3,20-dione, 17-(acetyloxy)-6-methyl-, (6alpha)-
CAS Number(s)
  • 130145-14-1
InChIKey KPGPDUKVGHPALY-MTCINIRFSA-N
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