(11β)-11,18,21-Trihydroxy-19-Norpregn-4-Ene-3,20-Dione

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Properties Simple | Detailed

Formula C20H28O5
IUPAC Name (8s,9s,10r,11s,13r,14s,17s)-11-hydroxy-17-(2-hydroxyacetyl)-13-(hydroxymethyl)-2,6,7,8,9,10,11,12,14,15,16,17-dodecahydro-1h-cyclopenta[a]phenanthren-3-one
Molecular Mass 348.433 g·mol−1
Heat of Formation -946.3 ± 16.7 kJ·mol−1
Dipole Moment 2.36 ± 1.08 D
Volume 419.21 Å 3
Surface Area 331.0 Å 2
HOMO Energy -10.04 ± 0.55 eV
LUMO Energy -0.26 ± eV
Point Group Symmetry C1
Synonyms
  • (8s,9s,10r,11s,13r,14s,17s)-11-hydroxy-13-(hydroxymethyl)-17-(2-hydroxy-1-oxoethyl)-2,6,7,8,9,10,11,12,14,15,16,17-dodecahydro-1h-cyclopenta[a]phenanthren-3-one
  • (8s,9s,10r,11s,13r,14s,17s)-11-hydroxy-17-(2-hydroxyacetyl)-13-(hydroxymethyl)-2,6,7,8,9,10,11,12,14,15,16,17-dodecahydro-1h-cyclopenta[a]phenanthren-3-one
  • (8s,9s,10r,11s,13r,14s,17s)-11-hydroxy-17-(2-hydroxyethanoyl)-13-(hydroxymethyl)-2,6,7,8,9,10,11,12,14,15,16,17-dodecahydro-1h-cyclopenta[a]phenanthren-3-one
  • (8s,9s,10r,11s,13r,14s,17s)-17-glycoloyl-11-hydroxy-13-methylol-2,6,7,8,9,10,11,12,14,15,16,17-dodecahydro-1h-cyclopenta[a]phenanthren-3-one
  • 18-hydroxy-19-norcorticosterone
  • 18-oh-19-nc
  • 19-norpregn-4-ene-3,20-dione, 11,18,21-trihydroxy-, (11beta)-
CAS Number(s)
  • 111594-84-4
InChIKey AXKAXPIBUXKNOZ-CRGXURCLSA-N
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