6α,11Beta,17,21-Tetrahydroxypregn-4-Ene-3,20-Dione

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Properties Simple | Detailed

Formula C21H30O6
IUPAC Name (6s,8s,9s,10r,11s,13s,14s,17r)-6,11,17-trihydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-2,6,7,8,9,11,12,14,15,16-decahydro-1h-cyclopenta[a]phenanthren-3-one
Molecular Mass 378.459 g·mol−1
Heat of Formation -1149.7 ± 16.7 kJ·mol−1
Dipole Moment 4.47 ± 1.08 D
Volume 448.74 Å 3
Surface Area 346.9 Å 2
HOMO Energy -9.80 ± 0.55 eV
LUMO Energy -0.03 ± eV
Point Group Symmetry C1
Synonyms
  • (6s,8s,9s,10r,11s,13s,14s,17r)-17-glycoloyl-6,11,17-trihydroxy-10,13-dimethyl-2,6,7,8,9,11,12,14,15,16-decahydro-1h-cyclopenta[a]phenanthren-3-one
  • (6s,8s,9s,10r,11s,13s,14s,17r)-6,11,17-trihydroxy-17-(2-hydroxy-1-oxoethyl)-10,13-dimethyl-2,6,7,8,9,11,12,14,15,16-decahydro-1h-cyclopenta[a]phenanthren-3-one
  • (6s,8s,9s,10r,11s,13s,14s,17r)-6,11,17-trihydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-2,6,7,8,9,11,12,14,15,16-decahydro-1h-cyclopenta[a]phenanthren-3-one
  • (6s,8s,9s,10r,11s,13s,14s,17r)-6,11,17-trihydroxy-17-(2-hydroxyethanoyl)-10,13-dimethyl-2,6,7,8,9,11,12,14,15,16-decahydro-1h-cyclopenta[a]phenanthren-3-one
  • 4-pregnene-6alpha,11beta,17,21-tetrol-3,20-dione
  • 6alpha-hydroxycortisol
CAS Number(s)
  • 2242-98-0
InChIKey GNFTWPCIRXSCQF-HVIRSNARSA-N
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