(11β)-11,21-Dihydroxy-3,20-Dioxo-19-Norpregn-4-En-18-Al

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Properties Simple | Detailed

Formula C20H26O5
IUPAC Name (8s,9s,10r,11s,13r,14s,17s)-11-hydroxy-17-(2-hydroxyacetyl)-3-oxo-2,6,7,8,9,10,11,12,14,15,16,17-dodecahydro-1h-cyclopenta[a]phenanthrene-13-carbaldehyde
Molecular Mass 346.417 g·mol−1
Heat of Formation -883.1 ± 16.7 kJ·mol−1
Dipole Moment 4.66 ± 1.08 D
Volume 414.43 Å 3
Surface Area 329.62 Å 2
HOMO Energy -9.90 ± 0.55 eV
LUMO Energy -0.15 ± eV
Point Group Symmetry C1
Synonyms
  • (8s,9s,10r,11s,13r,14s,17s)-11-hydroxy-17-(2-hydroxy-1-oxoethyl)-3-oxo-2,6,7,8,9,10,11,12,14,15,16,17-dodecahydro-1h-cyclopenta[a]phenanthrene-13-carboxaldehyde
  • (8s,9s,10r,11s,13r,14s,17s)-11-hydroxy-17-(2-hydroxyacetyl)-3-oxo-2,6,7,8,9,10,11,12,14,15,16,17-dodecahydro-1h-cyclopenta[a]phenanthrene-13-carbaldehyde
  • (8s,9s,10r,11s,13r,14s,17s)-11-hydroxy-17-(2-hydroxyethanoyl)-3-oxo-2,6,7,8,9,10,11,12,14,15,16,17-dodecahydro-1h-cyclopenta[a]phenanthrene-13-carbaldehyde
  • (8s,9s,10r,11s,13r,14s,17s)-17-glycoloyl-11-hydroxy-3-keto-2,6,7,8,9,10,11,12,14,15,16,17-dodecahydro-1h-cyclopenta[a]phenanthrene-13-carbaldehyde
  • 19-noraldosterone
  • 19-norpregn-4-en-18-al, 11,21-dihydroxy-3,20-dioxo-, (11beta)-
CAS Number(s)
  • 76025-75-7
InChIKey BIDXSZCVYXAGCG-CRGXURCLSA-N
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