21-Hydroxy-19-Norpregn-4-Ene-3,20-Dione

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Properties Simple | Detailed

Formula C20H28O3
IUPAC Name (8r,9s,10r,13s,14s,17s)-17-(2-hydroxyacetyl)-13-methyl-2,6,7,8,9,10,11,12,14,15,16,17-dodecahydro-1h-cyclopenta[a]phenanthren-3-one
Molecular Mass 316.435 g·mol−1
Heat of Formation -615.0 ± 16.7 kJ·mol−1
Dipole Moment 2.12 ± 1.08 D
Volume 401.3 Å 3
Surface Area 323.1 Å 2
HOMO Energy -9.87 ± 0.55 eV
LUMO Energy -0.08 ± eV
Point Group Symmetry C1
Synonyms
  • (8r,9s,10r,13s,14s,17s)-17-(2-hydroxy-1-oxoethyl)-13-methyl-2,6,7,8,9,10,11,12,14,15,16,17-dodecahydro-1h-cyclopenta[a]phenanthren-3-one
  • (8r,9s,10r,13s,14s,17s)-17-(2-hydroxyacetyl)-13-methyl-2,6,7,8,9,10,11,12,14,15,16,17-dodecahydro-1h-cyclopenta[a]phenanthren-3-one
  • (8r,9s,10r,13s,14s,17s)-17-(2-hydroxyethanoyl)-13-methyl-2,6,7,8,9,10,11,12,14,15,16,17-dodecahydro-1h-cyclopenta[a]phenanthren-3-one
  • (8r,9s,10r,13s,14s,17s)-17-glycoloyl-13-methyl-2,6,7,8,9,10,11,12,14,15,16,17-dodecahydro-1h-cyclopenta[a]phenanthren-3-one
  • 19-nordeoxycorticosterone
  • 19-norpregn-4-ene-3,20-dione, 21-hydroxy-
CAS Number(s)
  • 4682-70-6
InChIKey YNCNEPHWJBSKJJ-OIHMHFBDSA-N
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