(20S)-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-[(1s)-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 -722.4 ± 16.7 kJ·mol−1
Dipole Moment 3.02 ± 1.08 D
Volume 424.24 Å 3
Surface Area 330.67 Å 2
HOMO Energy -9.80 ± 0.55 eV
LUMO Energy 2.97 ± eV
Point Group Symmetry C1
Synonyms
  • (8r,9s,10r,13s,14s,17r)-17-hydroxy-17-(1-hydroxyethyl)-10,13-dimethyl-2,6,7,8,9,11,12,14,15,16-decahydro-1h-cyclopenta[a]phenanthren-3-one
  • 17alpha,20alpha-dihydroxypregn-4-en-3-one
CAS Number(s)
  • 652-69-7
InChIKey MASCESDECGBIBB-HNXXTFFGSA-N
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