21-Hydroxy-3,20-Dioxopregn-4-En-19-Oic Acid

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Properties Simple | Detailed

Formula C21H28O5
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-carboxylic acid
Molecular Mass 360.444 g·mol−1
Heat of Formation -978.7 ± 16.7 kJ·mol−1
Dipole Moment 1.85 ± 1.08 D
Volume 432.08 Å 3
Surface Area 340.95 Å 2
HOMO Energy -10.06 ± 0.55 eV
LUMO Energy -0.41 ± 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-carboxylic acid
  • (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-carboxylic acid
  • (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-carboxylic acid
  • (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-carboxylic acid
  • 19-oic-11-deoxycorticosterone
  • 19-oic-21-hydroxy-4-pregnen-3,20-dione
  • 19-oic-deoxycorticosterone
  • 19-oic-doc
  • deoxycorticosterone-19-oic
  • pregn-4-en-19-oic acid, 21-hydroxy-3,20-dioxo-
CAS Number(s)
  • 81309-33-3
InChIKey RUPOMAOZPOVHQZ-XYNCURNNSA-N
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