17-Deoxycortisone

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Properties Simple | Detailed

Formula C21H28O4
IUPAC Name (8s,9s,10r,13s,14s,17s)-17-(2-hydroxyacetyl)-10,13-dimethyl-2,6,7,8,9,12,14,15,16,17-decahydro-1h-cyclopenta[a]phenanthrene-3,11-dione
Molecular Mass 344.445 g·mol−1
Heat of Formation -765.4 ± 16.7 kJ·mol−1
Dipole Moment 4.19 ± 1.08 D
Volume 422.87 Å 3
Surface Area 333.89 Å 2
HOMO Energy -9.84 ± 0.55 eV
LUMO Energy 2.87 ± eV
Point Group Symmetry C1
Synonyms
  • (8s,9s,10r,13s,14s,17s)-17-(2-hydroxy-1-oxoethyl)-10,13-dimethyl-2,6,7,8,9,12,14,15,16,17-decahydro-1h-cyclopenta[a]phenanthrene-3,11-dione
  • (8s,9s,10r,13s,14s,17s)-17-(2-hydroxyacetyl)-10,13-dimethyl-2,6,7,8,9,12,14,15,16,17-decahydro-1h-cyclopenta[a]phenanthrene-3,11-dione
  • (8s,9s,10r,13s,14s,17s)-17-(2-hydroxyethanoyl)-10,13-dimethyl-2,6,7,8,9,12,14,15,16,17-decahydro-1h-cyclopenta[a]phenanthrene-3,11-dione
  • (8s,9s,10r,13s,14s,17s)-17-glycoloyl-10,13-dimethyl-2,6,7,8,9,12,14,15,16,17-decahydro-1h-cyclopenta[a]phenanthrene-3,11-quinone
InChIKey FUFLCEKSBBHCMO-KJQYFISQSA-N
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