17-Hydroxypregna-4,6,8(14)-Triene-3,20-Dione

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Properties Simple | Detailed

Formula C21H26O3
IUPAC Name (9r,10r,13s,17r)-17-acetyl-17-hydroxy-10,13-dimethyl-2,9,11,12,15,16-hexahydro-1h-cyclopenta[a]phenanthren-3-one
Molecular Mass 326.429 g·mol−1
Heat of Formation -509.5 ± 16.7 kJ·mol−1
Dipole Moment 2.56 ± 1.08 D
Volume 403.54 Å 3
Surface Area 319.52 Å 2
HOMO Energy -9.07 ± 0.55 eV
LUMO Energy -0.88 ± eV
Point Group Symmetry C1
Synonyms
  • (9r,10r,13s,17r)-17-acetyl-17-hydroxy-10,13-dimethyl-2,9,11,12,15,16-hexahydro-1h-cyclopenta[a]phenanthren-3-one
  • (9r,10r,13s,17r)-17-ethanoyl-17-hydroxy-10,13-dimethyl-2,9,11,12,15,16-hexahydro-1h-cyclopenta[a]phenanthren-3-one
  • 17-hydroxy-4,6,8(14)-pregnatriene-3,20-dione
  • 6,8(14)-bisdehydro-17-hydroxyprogesterone
  • bdhp
  • pregna-4,6,8(14)-triene-3,20-dione, 17-hydroxy-
CAS Number(s)
  • 14147-97-8
InChIKey IDIHGZAZUJGAEB-VMXMFDLUSA-N
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