(3β,5β)-3-[(3-Carboxypropanoyl)Oxy]-14-Hydroxycard-20(22)-Enolide

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Properties Simple | Detailed

Formula C25H12O7
IUPAC Name 4-[[(3s,5r,8r,9s,10s,13r,14s,17r)-14-hydroxy-10,13-dimethyl-17-(5-oxo-2h-furan-3-yl)-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-yl]oxy]-4-oxobutanoic acid
Molecular Mass 424.359 g·mol−1
Heat of Formation -1459.2 ± 16.7 kJ·mol−1
Dipole Moment 7.28 ± 1.08 D
Volume 570.07 Å 3
Surface Area 444.47 Å 2
HOMO Energy -10.24 ± 0.55 eV
LUMO Energy 2.85 ± eV
Point Group Symmetry C1
Synonyms
  • 4-[[(3s,5r,8r,9s,10s,13r,14s,17r)-14-hydroxy-10,13-dimethyl-17-(5-oxo-2h-furan-3-yl)-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-yl]oxy]-4-oxo-butanoic acid
  • 4-[[(3s,5r,8r,9s,10s,13r,14s,17r)-14-hydroxy-17-(5-keto-2h-furan-3-yl)-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-yl]oxy]-4-keto-butyric acid
InChIKey ZCCQIPMOHUISQK-QYWLGFMRSA-N
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