(16α)-16-Ethyl-21-Hydroxy-19-Norpregn-4-Ene-3,20-Dione

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Properties Simple | Detailed

Formula C22H32O3
IUPAC Name (8r,9s,10r,13s,14s,16r,17s)-16-ethyl-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 344.488 g·mol−1
Heat of Formation -665.5 ± 16.7 kJ·mol−1
Dipole Moment 2.41 ± 1.08 D
Volume 445.84 Å 3
Surface Area 351.8 Å 2
HOMO Energy -9.86 ± 0.55 eV
LUMO Energy -0.06 ± eV
Point Group Symmetry C1
Synonyms
  • (8r,9s,10r,13s,14s,16r,17s)-16-ethyl-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,16r,17s)-16-ethyl-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,16r,17s)-16-ethyl-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,16r,17s)-16-ethyl-17-glycoloyl-13-methyl-2,6,7,8,9,10,11,12,14,15,16,17-dodecahydro-1h-cyclopenta[a]phenanthren-3-one
  • 16alpha-ethyl-21-hydroxy-19-nor-4-pregnene-3,20-dione
  • 19-norpregn-4-ene-3,20-dione, 16-ethyl-21-hydroxy-, (16alpha)-
  • o-2058
  • org 2058
  • org-2058
  • org2058
CAS Number(s)
  • 24320-06-7
InChIKey IJLXLZGJDSJGIQ-BILPMHSYSA-N
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