17-α-Acetoxy-7-Oxaprogesterone

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Properties Simple | Detailed

Formula C22H30O5
IUPAC Name [(1r,3ar,3br,9ar,9br,11as)-1-acetyl-9a,11a-dimethyl-7-oxo-2,3,3a,3b,5,8,9,9b,10,11-decahydroindeno[4,5-c]isochromen-1-yl] acetate
Molecular Mass 374.471 g·mol−1
Heat of Formation -970.4 ± 16.7 kJ·mol−1
Dipole Moment 3.19 ± 1.08 D
Volume 454.91 Å 3
Surface Area 356.19 Å 2
HOMO Energy -9.83 ± 0.55 eV
LUMO Energy -0.25 ± eV
Point Group Symmetry C1
Synonyms
  • 17-acetoxy-7-oxaprogesterone
  • 7-oxapregn-4-ene-3,20-dione, 17-(acetyloxy)-
  • [(1r,3ar,3br,9ar,9br,11as)-1-acetyl-9a,11a-dimethyl-7-oxo-2,3,3a,3b,5,8,9,9b,10,11-decahydroindeno[4,5-c]isochromen-1-yl] acetate
  • [(1r,3ar,3br,9ar,9br,11as)-1-ethanoyl-9a,11a-dimethyl-7-oxo-2,3,3a,3b,5,8,9,9b,10,11-decahydroindeno[4,5-c]isochromen-1-yl] ethanoate
  • acetic acid [(1r,3ar,3br,9ar,9br,11as)-1-acetyl-7-keto-9a,11a-dimethyl-2,3,3a,3b,5,8,9,9b,10,11-decahydroindeno[4,5-c]isochromen-1-yl] ester
  • acetic acid [(1r,3ar,3br,9ar,9br,11as)-1-acetyl-9a,11a-dimethyl-7-oxo-2,3,3a,3b,5,8,9,9b,10,11-decahydroindeno[4,5-c]isochromen-1-yl] ester
CAS Number(s)
  • 42061-81-4
InChIKey KTNMGOMUAGXFRM-GVUKCBQMSA-N
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