15β,17Alpha-Dihydroxy-4-Pregnen-3,20-Dione

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Properties Simple | Detailed

Formula C21H30O4
IUPAC Name (8r,9s,10r,13s,14s,15r,17r)-17-acetyl-15,17-dihydroxy-10,13-dimethyl-2,6,7,8,9,11,12,14,15,16-decahydro-1h-cyclopenta[a]phenanthren-3-one
Molecular Mass 346.461 g·mol−1
Heat of Formation -827.8 ± 16.7 kJ·mol−1
Dipole Moment 4.62 ± 1.08 D
Volume 427.79 Å 3
Surface Area 331.89 Å 2
HOMO Energy -9.71 ± 0.55 eV
LUMO Energy 0.09 ± eV
Point Group Symmetry C1
Synonyms
  • (8r,9s,10r,13s,14s,15r,17r)-17-acetyl-15,17-dihydroxy-10,13-dimethyl-2,6,7,8,9,11,12,14,15,16-decahydro-1h-cyclopenta[a]phenanthren-3-one
  • (8r,9s,10r,13s,14s,15r,17r)-17-ethanoyl-15,17-dihydroxy-10,13-dimethyl-2,6,7,8,9,11,12,14,15,16-decahydro-1h-cyclopenta[a]phenanthren-3-one
  • 15,17-dihydroxyprogesterone
  • pregn-4-ene-3,20-dione, 15,17-dihydroxy-, (15beta)-
CAS Number(s)
  • 71118-02-0
InChIKey FWKZKCGCFQKDQY-KCTPXNJMSA-N
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