(7α,17Beta)-7-Methyl-3-Oxoestr-4-Ene-10,17-Diyl Diacetate

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Properties Simple | Detailed

Formula C23H32O5
IUPAC Name [(7r,8s,9s,10s,13s,14s,17s)-10-acetoxy-7,13-dimethyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl] acetate
Molecular Mass 388.497 g·mol−1
Heat of Formation -1049.2 ± 16.7 kJ·mol−1
Dipole Moment 6.78 ± 1.08 D
Volume 482.55 Å 3
Surface Area 372.04 Å 2
HOMO Energy -9.82 ± 0.55 eV
LUMO Energy -0.10 ± eV
Point Group Symmetry C1
Synonyms
  • 7-methyl-10,17-diacetoxy-4-estren-3-one
  • 7alpha-methyl-10beta,17beta-diacetoxy-4delta-estren-3-one
  • 7beta-methyl-10beta,17beta-diacetoxy-4delta-estren-3-one
  • [(7r,8s,9s,10s,13s,14s,17s)-17-acetoxy-7,13-dimethyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-10-yl] acetate
  • [(7r,8s,9s,10s,13s,14s,17s)-17-acetyloxy-7,13-dimethyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-10-yl] acetate
  • [(7r,8s,9s,10s,13s,14s,17s)-17-acetyloxy-7,13-dimethyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-10-yl] ethanoate
  • acetic acid [(7r,8s,9s,10s,13s,14s,17s)-17-acetoxy-3-keto-7,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-10-yl] ester
  • acetic acid [(7r,8s,9s,10s,13s,14s,17s)-17-acetoxy-7,13-dimethyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-10-yl] ester
  • estr-4-en-3-one, 10,17-bis(acetyloxy)-7-methyl-, (7alpha,17beta)-
  • estr-4-en-one, 10,17-bis(acetyloxy)-7-methyl-, (7alpha,17beta)-
  • mdeo
CAS Number(s)
  • 96723-97-6
InChIKey LNUAWESKMGMBRU-XNGAJTACSA-N
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