21-Hydroxy-4-Pregnen-3,19,20-Trione

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Properties Simple | Detailed

Formula C21H28O4
IUPAC Name (8s,9s,10s,13s,14s,17s)-17-(2-hydroxyacetyl)-13-methyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthrene-10-carbaldehyde
Molecular Mass 344.445 g·mol−1
Heat of Formation -721.8 ± 16.7 kJ·mol−1
Dipole Moment 4.05 ± 1.08 D
Volume 423.11 Å 3
Surface Area 334.95 Å 2
HOMO Energy -9.92 ± 0.55 eV
LUMO Energy -0.18 ± eV
Point Group Symmetry C1
Synonyms
  • (8s,9s,10s,13s,14s,17s)-17-(2-hydroxy-1-oxoethyl)-13-methyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthrene-10-carboxaldehyde
  • (8s,9s,10s,13s,14s,17s)-17-(2-hydroxyacetyl)-13-methyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthrene-10-carbaldehyde
  • (8s,9s,10s,13s,14s,17s)-17-(2-hydroxyethanoyl)-13-methyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthrene-10-carbaldehyde
  • (8s,9s,10s,13s,14s,17s)-17-glycoloyl-3-keto-13-methyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthrene-10-carbaldehyde
  • 19-oxo-deoxycorticosterone
  • pregn-4-en-19-al, 21-hydroxy-3,20-dioxo-
CAS Number(s)
  • 75220-37-0
InChIKey PDNIPWXQYQYCSU-ZOCXKQACSA-N
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