(7α,17α)-10-Hydroperoxy-7-Methyl-3-Oxo-19-Norpregn-4-En-20-Yn-17-Yl Heptanoate

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Properties Simple | Detailed

Formula C28H40O5
IUPAC Name [(7r,8s,9s,10s,13s,14s,17r)-17-ethynyl-10-hydroperoxy-7,13-dimethyl-3-oxo-2,6,7,8,9,11,12,14,15,16-decahydro-1h-cyclopenta[a]phenanthren-17-yl] heptanoate
Molecular Mass 456.614 g·mol−1
Heat of Formation -618.8 ± 16.7 kJ·mol−1
Dipole Moment 5.15 ± 1.08 D
Volume 533.87 Å 3
Surface Area 422.77 Å 2
HOMO Energy -9.82 ± 0.55 eV
LUMO Energy 2.92 ± eV
Point Group Symmetry C1
Synonyms
  • 10-hydroperoxy-7-methylnorethindrone 17-heptanoate
  • 19-norpregn-4-en-20-yn-3-one, 10-hydroperoxy-7-methoxy-17-((1-oxoheptyl)oxy)-, (7alpha,17alpha)-
  • 7alpha-methylnorethindrone enanthate 10-beta-hydroperoxide
  • [(7r,8s,9s,10s,13s,14s,17r)-17-ethynyl-10-hydroperoxy-7,13-dimethyl-3-oxo-2,6,7,8,9,11,12,14,15,16-decahydro-1h-cyclopenta[a]phenanthren-17-yl] heptanoate
  • enanthic acid [(7r,8s,9s,10s,13s,14s,17r)-17-ethynyl-10-hydroperoxy-3-keto-7,13-dimethyl-2,6,7,8,9,11,12,14,15,16-decahydro-1h-cyclopenta[a]phenanthren-17-yl] ester
  • heptanoic acid [(7r,8s,9s,10s,13s,14s,17r)-17-ethynyl-10-hydroperoxy-7,13-dimethyl-3-oxo-2,6,7,8,9,11,12,14,15,16-decahydro-1h-cyclopenta[a]phenanthren-17-yl] ester
  • hpmn
CAS Number(s)
  • 93176-68-2
InChIKey MDIACHVOJQLAOR-ZYDGDJLBSA-N
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