5β-Dihydrocortisone

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Properties Simple | Detailed

Formula C21H30O5
IUPAC Name (5r,8s,9s,10s,13s,14s,17r)-17-hydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-1,2,4,5,6,7,8,9,12,14,15,16-dodecahydrocyclopenta[a]phenanthrene-3,11-dione
Molecular Mass 362.460 g·mol−1
Heat of Formation -1033.8 ± 16.7 kJ·mol−1
Dipole Moment 5.05 ± 1.08 D
Volume 437.5 Å 3
Surface Area 338.59 Å 2
HOMO Energy -9.96 ± 0.55 eV
LUMO Energy 0.14 ± eV
Point Group Symmetry C1
Synonyms
  • (5r,8s,9s,10s,13s,14s,17r)-17-glycoloyl-17-hydroxy-10,13-dimethyl-1,2,4,5,6,7,8,9,12,14,15,16-dodecahydrocyclopenta[a]phenanthrene-3,11-quinone
  • (5r,8s,9s,10s,13s,14s,17r)-17-hydroxy-17-(2-hydroxy-1-oxoethyl)-10,13-dimethyl-1,2,4,5,6,7,8,9,12,14,15,16-dodecahydrocyclopenta[a]phenanthrene-3,11-dione
  • (5r,8s,9s,10s,13s,14s,17r)-17-hydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-1,2,4,5,6,7,8,9,12,14,15,16-dodecahydrocyclopenta[a]phenanthrene-3,11-dione
  • (5r,8s,9s,10s,13s,14s,17r)-17-hydroxy-17-(2-hydroxyethanoyl)-10,13-dimethyl-1,2,4,5,6,7,8,9,12,14,15,16-dodecahydrocyclopenta[a]phenanthrene-3,11-dione
  • 17,21-dihydroxy-5beta-pregnane-3,11,20-trione
  • 17alpha,21-dihydroxy-5beta-pregnane-3,11,20-trione
  • 4,5beta-dihydrocortisone
  • 5-dihydrocortisone
  • 5beta-pregnan-17 alpha,21-dihydroxy-3,11,20-trione
  • 5beta-pregnan-17alpha,21-dihydroxy-3,11,20-trione
  • 5beta-pregnane-17alpha,21-diol-3,11,20-trione
  • lmst02030095
  • pregnane-3,11,20-trione, 17,21-dihydroxy-, (5beta)-
CAS Number(s)
  • 68-54-2
InChIKey YCLWEYIBFOLMEM-FNLRALKVSA-N
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