17-Hydroxypregn-4-En-3-One

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Properties Simple | Detailed

Formula C21H32O2
IUPAC Name (8r,9s,10r,13s,14s,17r)-17-ethyl-17-hydroxy-10,13-dimethyl-2,6,7,8,9,11,12,14,15,16-decahydro-1h-cyclopenta[a]phenanthren-3-one
Molecular Mass 316.478 g·mol−1
Heat of Formation -538.7 ± 16.7 kJ·mol−1
Dipole Moment 4.91 ± 1.08 D
Volume 414.08 Å 3
Surface Area 326.92 Å 2
HOMO Energy -9.75 ± 0.55 eV
LUMO Energy 0.02 ± eV
Point Group Symmetry C1
Synonyms
  • (8r,9s,10r,13s,14s,17r)-17-ethyl-17-hydroxy-10,13-dimethyl-2,6,7,8,9,11,12,14,15,16-decahydro-1h-cyclopenta[a]phenanthren-3-one
  • 17-hpeo
  • 17-hydroxypregn-4-ene-3-one
  • 17alpha-hydroxy-4-pregnen-3-one
  • pregn-4-en-3-one, 17-hydroxy-
CAS Number(s)
  • 3090-78-6
InChIKey FGPGANCDNDLUST-SJFWLOONSA-N
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