4-{[(6β)-3,20-Dioxopregn-4-En-6-Yl]Oxy}-4-Oxobutanoic Acid

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Properties Simple | Detailed

Formula C25H34O6
IUPAC Name 4-[[(6r,8s,9s,10r,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-6-yl]oxy]-4-oxo-butanoic acid
Molecular Mass 430.534 g·mol−1
Heat of Formation -1237.4 ± 16.7 kJ·mol−1
Dipole Moment 4.11 ± 1.08 D
Volume 532.21 Å 3
Surface Area 410.89 Å 2
HOMO Energy -10.03 ± 0.55 eV
LUMO Energy -0.49 ± eV
Point Group Symmetry C1
Synonyms
  • (6beta)-6-(3-carboxy-1-oxopropoxy)pregn-4-ene-3,20-dione
  • 4-[[(6r,8s,9s,10r,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-6-yl]oxy]-4-oxo-butanoic acid
  • 4-[[(6r,8s,9s,10r,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-6-yl]oxy]-4-oxobutanoic acid
  • 4-[[(6r,8s,9s,10r,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-6-yl]oxy]-4-keto-butyric acid
  • 4-[[(6r,8s,9s,10r,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-6-yl]oxy]-4-oxo-butanoic acid
  • 6beta-hydroxyhemisuccinate-progesterone
  • pregn-4-ene-3,20-dione, 6-(3-carboxy-1-oxopropoxy)-, (6beta)-
  • progesterone 6-hemisuccinate
CAS Number(s)
  • 50909-93-8
InChIKey QYQJIYPYLWZOPR-BTGMICCMSA-N
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