(11β)-11,17,21-Trihydroxy-19-Norpregn-4-Ene-3,20-Dione

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Properties Simple | Detailed

Formula C20H28O5
IUPAC Name (8s,9s,10r,11s,13s,14s,17r)-11,17-dihydroxy-17-(2-hydroxyacetyl)-13-methyl-1,2,6,7,8,9,10,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-3-one
Molecular Mass 348.433 g·mol−1
Heat of Formation -950.9 ± 16.7 kJ·mol−1
Dipole Moment 1.62 ± 1.08 D
Volume 418.4 Å 3
Surface Area 335.34 Å 2
HOMO Energy -9.96 ± 0.55 eV
LUMO Energy -0.18 ± eV
Point Group Symmetry C1
Synonyms
  • (8s,9s,10r,11s,13s,14s,17r)-11,17-dihydroxy-17-(2-hydroxy-1-oxoethyl)-13-methyl-1,2,6,7,8,9,10,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-3-one
  • (8s,9s,10r,11s,13s,14s,17r)-11,17-dihydroxy-17-(2-hydroxyacetyl)-13-methyl-1,2,6,7,8,9,10,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-3-one
  • (8s,9s,10r,11s,13s,14s,17r)-11,17-dihydroxy-17-(2-hydroxyethanoyl)-13-methyl-1,2,6,7,8,9,10,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-3-one
  • (8s,9s,10r,11s,13s,14s,17r)-17-glycoloyl-11,17-dihydroxy-13-methyl-1,2,6,7,8,9,10,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-3-one
  • 19-norcortisol
  • 19-norhydrocortisone
  • 19-norpregn-4-ene-3,20-dione, 11,17,21-trihydroxy-, (11beta)-
CAS Number(s)
  • 54947-44-3
InChIKey GKKXORFRZYJFHA-HIQFCVFCSA-N
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