16A-Hydroxyprogesterone

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Properties Simple | Detailed

Formula C21H30O3
IUPAC Name (8s,9s,10r,13s,14s,16r,17r)-17-acetyl-16-hydroxy-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one
Molecular Mass 330.461 g·mol−1
Heat of Formation -667.5 ± 16.7 kJ·mol−1
Dipole Moment 3.82 ± 1.08 D
Volume 417.87 Å 3
Surface Area 331.24 Å 2
HOMO Energy -9.80 ± 0.55 eV
LUMO Energy -0.03 ± eV
Point Group Symmetry C1
Synonyms
  • (8s,9s,10r,13s,14s,16r,17r)-17-acetyl-16-hydroxy-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one
  • (8s,9s,10r,13s,14s,16r,17r)-17-ethanoyl-16-hydroxy-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one
  • 16.alpha.-hydroxyprogesterone
  • 16alpha-hydroxypregn-4-ene-3,20-dione
  • 16alpha-hydroxyprogesterone1
  • pregn-4-ene-3,20-dione, 16-hydroxy-, (16.alpha.)-
  • pregn-4-ene-3,20-dione, 16.alpha.-hydroxy-
InChIKey LOVNYFVWYTXDRE-RMWFXKKMSA-N
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