Oleandrin

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Formula C26H12O9
IUPAC Name [(3s,5r,8r,9s,10s,13r,14s,16s,17r)-14-hydroxy-3-[(2r,4s,5s,6s)-5-hydroxy-4-methoxy-6-methyloxan-2-yl]oxy-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-16-yl] acetate
Molecular Mass 468.368 g·mol−1
Heat of Formation -1828.9 ± 16.7 kJ·mol−1
Dipole Moment 6.37 ± 1.08 D
Volume 695.08 Å 3
Surface Area 521.25 Å 2
HOMO Energy -10.17 ± 0.55 eV
LUMO Energy 2.91 ± eV
Point Group Symmetry C1
Synonyms
  • [(3s,5r,8r,9s,10s,13r,14s,16s,17r)-14-hydroxy-3-[(2r,4s,5s,6s)-5-hydroxy-4-methoxy-6-methyl-oxan-2-yl]oxy-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-16-yl] ethanoate
  • [(3s,5r,8r,9s,10s,13r,14s,16s,17r)-14-hydroxy-3-[(2r,4s,5s,6s)-5-hydroxy-4-methoxy-6-methyl-tetrahydropyran-2-yl]oxy-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-16-yl] acetate
  • acetic acid [(3s,5r,8r,9s,10s,13r,14s,16s,17r)-14-hydroxy-3-[(2r,4s,5s,6s)-5-hydroxy-4-methoxy-6-methyl-tetrahydropyran-2-yl]oxy-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-16-yl] ester
  • acetic acid [(3s,5r,8r,9s,10s,13r,14s,16s,17r)-14-hydroxy-3-[[(2r,4s,5s,6s)-5-hydroxy-4-methoxy-6-methyl-2-tetrahydropyranyl]oxy]-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-16-yl] ester
InChIKey JLPDBLFIVFSOCC-XYXFTTADSA-N
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