4-{[(11α)-3,20-Dioxopregn-4-En-11-Yl]Oxy}-4-Oxobutanoic Acid

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Formula C25H34O6
IUPAC Name 4-[[(8s,9s,10r,11r,13s,14s,17s)-17-acetyl-10,13-dimethyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-11-yl]oxy]-4-oxo-butanoic acid
Molecular Mass 430.534 g·mol−1
Heat of Formation -1245.7 ± 16.7 kJ·mol−1
Dipole Moment 2.01 ± 1.08 D
Volume 528.5 Å 3
Surface Area 411.89 Å 2
HOMO Energy -9.86 ± 0.55 eV
LUMO Energy 2.90 ± eV
Point Group Symmetry C1
Synonyms
  • 4-[[(8s,9s,10r,11r,13s,14s,17s)-17-acetyl-10,13-dimethyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-11-yl]oxy]-4-oxo-butanoic acid
  • 4-[[(8s,9s,10r,11r,13s,14s,17s)-17-acetyl-3-keto-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-11-yl]oxy]-4-keto-butyric acid
  • 4-[[(8s,9s,10r,11r,13s,14s,17s)-17-ethanoyl-10,13-dimethyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-11-yl]oxy]-4-oxo-butanoic acid
  • progesterone-11-alpha-ol-hemisuccinate
  • sih
InChIKey JBBNFGYRYNBDIH-DBGGZKJISA-N
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