Pregna-1,4-Diene-3,11,20-Trione, 17,21-Dihydroxy-6α-Methyl-

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Properties Simple | Detailed

Formula C22H28O5
IUPAC Name (6s,8s,9s,10r,13s,14s,17r)-17-hydroxy-17-(2-hydroxyacetyl)-6,10,13-trimethyl-6,7,8,9,12,14,15,16-octahydrocyclopenta[a]phenanthrene-3,11-dione
Molecular Mass 372.455 g·mol−1
Heat of Formation -845.2 ± 16.7 kJ·mol−1
Dipole Moment 5.24 ± 1.08 D
Volume 445.81 Å 3
Surface Area 350.73 Å 2
HOMO Energy -9.82 ± 0.55 eV
LUMO Energy -0.47 ± eV
Point Group Symmetry C1
Synonyms
  • (6alpha)-17,21-dihydroxy-6-methylpregna-1,4-diene-3,11,20-trione
  • (6s,8s,9s,10r,13s,14s,17r)-17-glycoloyl-17-hydroxy-6,10,13-trimethyl-6,7,8,9,12,14,15,16-octahydrocyclopenta[a]phenanthrene-3,11-quinone
  • (6s,8s,9s,10r,13s,14s,17r)-17-hydroxy-17-(2-hydroxy-1-oxoethyl)-6,10,13-trimethyl-6,7,8,9,12,14,15,16-octahydrocyclopenta[a]phenanthrene-3,11-dione
  • (6s,8s,9s,10r,13s,14s,17r)-17-hydroxy-17-(2-hydroxyacetyl)-6,10,13-trimethyl-6,7,8,9,12,14,15,16-octahydrocyclopenta[a]phenanthrene-3,11-dione
  • (6s,8s,9s,10r,13s,14s,17r)-17-hydroxy-17-(2-hydroxyethanoyl)-6,10,13-trimethyl-6,7,8,9,12,14,15,16-octahydrocyclopenta[a]phenanthrene-3,11-dione
  • 6-methylprednisone
  • prednisone, 6.alpha.-methyl-
  • prednisone, 6alpha-methyl-
  • pregna-1,4-diene-3,11,20-trione, 17,21-dihydroxy-6-methyl-, (6alpha)-
  • pregna-1,4-diene-3,11,20-trione, 17,21-dihydroxy-6.alpha.-methyl-
CAS Number(s)
  • 91523-05-6
InChIKey SVYCRJXQZUCUND-PQXSVQADSA-N
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