(20R)-17,20-Dihydroxypregn-4-En-3-One

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Properties Simple | Detailed

Formula C21H32O3
IUPAC Name (8r,9s,10r,13s,14s,17r)-17-hydroxy-17-[(1r)-1-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 -714.2 ± 16.7 kJ·mol−1
Dipole Moment 7.38 ± 1.08 D
Volume 422.87 Å 3
Surface Area 331.61 Å 2
HOMO Energy -9.67 ± 0.55 eV
LUMO Energy 0.11 ± eV
Point Group Symmetry C1
Synonyms
  • 17-dhp
  • 17alpha,20beta-dihydroxypregn-4-en-3-one
  • 17alpha,20beta-dihydroxyprogesterone
  • 17alpha-hydroxy-20beta-dihydroprogesterone
  • pregn-4-en-3-one, 17,20-dihydroxy-, (20r)-
CAS Number(s)
  • 1662-06-2
InChIKey MASCESDECGBIBB-FSHQYNQFSA-N
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