17-Hydroxypregn-5-Ene-3,20-Dione

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Properties Simple | Detailed

Formula C21H30O3
IUPAC Name (8r,9s,10r,13s,14s,17r)-17-acetyl-17-hydroxy-10,13-dimethyl-2,4,7,8,9,11,12,14,15,16-decahydro-1h-cyclopenta[a]phenanthren-3-one
Molecular Mass 330.461 g·mol−1
Heat of Formation -661.6 ± 16.7 kJ·mol−1
Dipole Moment 2.13 ± 1.08 D
Volume 416.97 Å 3
Surface Area 327.69 Å 2
HOMO Energy -9.46 ± 0.55 eV
LUMO Energy 0.68 ± eV
Point Group Symmetry C1
Synonyms
  • (8r,9s,10r,13s,14s,17r)-17-acetyl-17-hydroxy-10,13-dimethyl-2,4,7,8,9,11,12,14,15,16-decahydro-1h-cyclopenta[a]phenanthren-3-one
  • (8r,9s,10r,13s,14s,17r)-17-ethanoyl-17-hydroxy-10,13-dimethyl-2,4,7,8,9,11,12,14,15,16-decahydro-1h-cyclopenta[a]phenanthren-3-one
  • 17-hydroxypregnenedione
  • 17alpha-hydroxypregn-5-ene-3,20-dione
CAS Number(s)
  • 641-80-5
InChIKey RCFJDVCRANOZEL-CEGNMAFCSA-N
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