17-Hydroxypregna-4,6-Diene-3,20-Dione

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Properties Simple | Detailed

Formula C21H28O3
IUPAC Name (8r,9s,10r,13s,14s,17r)-17-acetyl-17-hydroxy-10,13-dimethyl-2,8,9,11,12,14,15,16-octahydro-1h-cyclopenta[a]phenanthren-3-one
Molecular Mass 328.445 g·mol−1
Heat of Formation -560.4 ± 16.7 kJ·mol−1
Dipole Moment 4.05 ± 1.08 D
Volume 411.25 Å 3
Surface Area 323.82 Å 2
HOMO Energy -9.48 ± 0.55 eV
LUMO Energy -0.56 ± eV
Point Group Symmetry C1
Synonyms
  • (8r,9s,10r,13s,14s,17r)-17-acetyl-17-hydroxy-10,13-dimethyl-2,8,9,11,12,14,15,16-octahydro-1h-cyclopenta[a]phenanthren-3-one
  • (8r,9s,10r,13s,14s,17r)-17-ethanoyl-17-hydroxy-10,13-dimethyl-2,8,9,11,12,14,15,16-octahydro-1h-cyclopenta[a]phenanthren-3-one
  • 17-hdhpg
  • 17-hydroxy-6-dehydroprogesterone
  • pregna-4,6-diene-3,20-dione, 17-hydroxy-
CAS Number(s)
  • 2477-60-3
InChIKey JBVNBBXAMBZTMQ-CEGNMAFCSA-N
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