14-Hydroxypregna-1,4-Diene-3,20-Dione

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Properties Simple | Detailed

Formula C21H28O3
IUPAC Name (8r,9s,10r,13r,14r,17s)-17-acetyl-14-hydroxy-10,13-dimethyl-7,8,9,11,12,15,16,17-octahydro-6h-cyclopenta[a]phenanthren-3-one
Molecular Mass 328.445 g·mol−1
Heat of Formation -561.7 ± 16.7 kJ·mol−1
Dipole Moment 4.94 ± 1.08 D
Volume 409.24 Å 3
Surface Area 322.05 Å 2
HOMO Energy -9.76 ± 0.55 eV
LUMO Energy -0.36 ± eV
Point Group Symmetry C1
Synonyms
  • (8r,9s,10r,13r,14r,17s)-17-acetyl-14-hydroxy-10,13-dimethyl-7,8,9,11,12,15,16,17-octahydro-6h-cyclopenta[a]phenanthren-3-one
  • (8r,9s,10r,13r,14r,17s)-17-ethanoyl-14-hydroxy-10,13-dimethyl-7,8,9,11,12,15,16,17-octahydro-6h-cyclopenta[a]phenanthren-3-one
  • 14-oh-pdd
  • pregna, 1,4-diene-3,20-dione, 14-hydroxy-
CAS Number(s)
  • 97055-11-3
InChIKey NEJRQZFTRAYLHK-JRBOJVLQSA-N
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