17,21-Dihydroxypregn-4-En-3-One

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Properties Simple | Detailed

Formula C21H32O3
IUPAC Name (8r,9s,10r,13s,14s,17s)-17-hydroxy-17-(2-hydroxyethyl)-10,13-dimethyl-2,6,7,8,9,11,12,14,15,16-decahydro-1h-cyclopenta[a]phenanthren-3-one
Molecular Mass 332.477 g·mol−1
Heat of Formation -708.7 ± 16.7 kJ·mol−1
Dipole Moment 3.00 ± 1.08 D
Volume 426.0 Å 3
Surface Area 337.65 Å 2
HOMO Energy -9.81 ± 0.55 eV
LUMO Energy -0.04 ± eV
Point Group Symmetry C1
Synonyms
  • (8r,9s,10r,13s,14s,17s)-17-hydroxy-17-(2-hydroxyethyl)-10,13-dimethyl-2,6,7,8,9,11,12,14,15,16-decahydro-1h-cyclopenta[a]phenanthren-3-one
  • 17,10beta-p
  • 17,20-dihydroxy-4-pregnen-3-one
  • 17,20beta-dihydroxy-4-pregnen-3-one
  • 17a,20a-dhp
  • 17alpha,20alpha-dihydroxy-4-pregnen-3-one
  • 17alpha,20alpha-dihydroxyprogesterone
  • 17alpha,20beta-dp
  • 4-pregnene-17alpha,20alpha-diol-3-one
  • pregn-4-en-3-one, 17,21-dihydroxy-
CAS Number(s)
  • 10456-50-5
InChIKey ABBVGECYEGYVPY-CEGNMAFCSA-N
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