17-Hydroxypregn-4-Ene-3,11,20-Trione

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Properties Simple | Detailed

Formula C21H28O4
IUPAC Name (8s,9s,10r,13s,14s,17r)-17-acetyl-17-hydroxy-10,13-dimethyl-1,2,6,7,8,9,12,14,15,16-decahydrocyclopenta[a]phenanthrene-3,11-dione
Molecular Mass 344.445 g·mol−1
Heat of Formation -791.7 ± 16.7 kJ·mol−1
Dipole Moment 4.96 ± 1.08 D
Volume 421.41 Å 3
Surface Area 328.76 Å 2
HOMO Energy -9.74 ± 0.55 eV
LUMO Energy -0.04 ± eV
Point Group Symmetry C1
Synonyms
  • (8s,9s,10r,13s,14s,17r)-17-acetyl-17-hydroxy-10,13-dimethyl-1,2,6,7,8,9,12,14,15,16-decahydrocyclopenta[a]phenanthrene-3,11-dione
  • (8s,9s,10r,13s,14s,17r)-17-acetyl-17-hydroxy-10,13-dimethyl-1,2,6,7,8,9,12,14,15,16-decahydrocyclopenta[a]phenanthrene-3,11-quinone
  • (8s,9s,10r,13s,14s,17r)-17-ethanoyl-17-hydroxy-10,13-dimethyl-1,2,6,7,8,9,12,14,15,16-decahydrocyclopenta[a]phenanthrene-3,11-dione
  • 17-alpha-hydroxypregn-4-ene-3,11,20-trione
  • 17alpha-hydroxypregn-4-ene-3,11,20-trione
  • 21-deoxycortisone
CAS Number(s)
  • 1882-82-2
InChIKey PUKLDDOGISCFCP-JSQCKWNTSA-N
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