(11β)-11,19,21-Trihydroxy-3,20-Dioxopregn-4-En-18-Al

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Properties Simple | Detailed

Formula C21H28O6
IUPAC Name (8s,9s,10s,11s,13r,14s,17s)-11-hydroxy-17-(2-hydroxyacetyl)-10-(hydroxymethyl)-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthrene-13-carbaldehyde
Molecular Mass 376.443 g·mol−1
Heat of Formation -1045.7 ± 16.7 kJ·mol−1
Dipole Moment 5.52 ± 1.08 D
Volume 442.73 Å 3
Surface Area 342.36 Å 2
HOMO Energy -9.70 ± 0.55 eV
LUMO Energy -0.04 ± eV
Point Group Symmetry C1
Synonyms
  • (8s,9s,10s,11s,13r,14s,17s)-11-hydroxy-10-(hydroxymethyl)-17-(2-hydroxy-1-oxoethyl)-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthrene-13-carboxaldehyde
  • (8s,9s,10s,11s,13r,14s,17s)-11-hydroxy-17-(2-hydroxyacetyl)-10-(hydroxymethyl)-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthrene-13-carbaldehyde
  • (8s,9s,10s,11s,13r,14s,17s)-11-hydroxy-17-(2-hydroxyethanoyl)-10-(hydroxymethyl)-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthrene-13-carbaldehyde
  • (8s,9s,10s,11s,13r,14s,17s)-17-glycoloyl-11-hydroxy-3-keto-10-methylol-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthrene-13-carbaldehyde
  • 19-hydroxyaldosterone
  • pregn-4-en-18-al, 11,19,21-trihydroxy-3,20-dioxo-, (11beta)-
CAS Number(s)
  • 103246-10-2
InChIKey XXAGGBKFYRBDBT-PUGGLORVSA-N
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