(3β)-20-Oxopregn-5-En-3-Yl 3-Iodo-2,6-Dimethylbenzoate

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Properties Simple | Detailed

Formula C30H39IO3
IUPAC Name [(3s,8s,9s,10r,13s,14s,17s)-17-acetyl-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1h-cyclopenta[a]phenanthren-3-yl] 3-iodo-2,6-di(methyl)benzene-4-ide-1-carboxylate
Molecular Mass 574.533 g·mol−1
Heat of Formation 611.8 ± 16.7 kJ·mol−1
Dipole Moment 1.52 ± 1.08 D
Volume 603.98 Å 3
Surface Area 476.49 Å 2
Point Group Symmetry C1
Synonyms
  • 3-iodo-2,6-dimethyl-benzoic acid [(3s,8s,9s,10r,13s,14s,17s)-17-acetyl-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1h-cyclopenta[a]phenanthren-3-yl] ester
  • 3-iodo-2,6-dimethylbenzoic acid [(3s,8s,9s,10r,13s,14s,17s)-17-acetyl-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1h-cyclopenta[a]phenanthren-3-yl] ester
  • [(3s,8s,9s,10r,13s,14s,17s)-17-acetyl-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1h-cyclopenta[a]phenanthren-3-yl] 3-iodo-2,6-dimethyl-benzoate
  • [(3s,8s,9s,10r,13s,14s,17s)-17-acetyl-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1h-cyclopenta[a]phenanthren-3-yl] 3-iodo-2,6-dimethylbenzoate
  • [(3s,8s,9s,10r,13s,14s,17s)-17-ethanoyl-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1h-cyclopenta[a]phenanthren-3-yl] 3-iodo-2,6-dimethyl-benzoate
  • p-2,6-dib
  • pregn-5-en-20-one, 3-((3-iodo-2,6-dimethylbenzoyl)oxy)-, (3beta)-
  • pregnenolone 2,6-dimethyl-3-iodobenzoate
CAS Number(s)
  • 124784-16-3
InChIKey MIIBLUAAEAEFJK-KWIQMPNJSA-N
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