Gitoxigenin

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Properties Simple | Detailed

Formula C23H34O5
IUPAC Name 3-[(3s,5r,8r,9s,10s,13r,14s,16s,17r)-3,14,16-trihydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2h-furan-5-one
Molecular Mass 390.513 g·mol−1
Heat of Formation -1060.2 ± 16.7 kJ·mol−1
Dipole Moment 6.62 ± 1.08 D
Volume 470.95 Å 3
Surface Area 356.72 Å 2
HOMO Energy -10.28 ± 0.55 eV
LUMO Energy -0.30 ± eV
Point Group Symmetry C1
Synonyms
  • .delta.(20,22)-2,14,16,21-(tetrahydroxy)norcholenic acid lactone
  • .delta.20,(22)-2,14,16,21-(tetrahydroxy)norcholenic acid lactone
  • 16.beta.-hydroxydigitoxigenin
  • 16.beta.-hydroxydisitoxigenin
  • 3beta,14,16beta,21-tetrahydroxy-20(22)-norcholenic acid lactone
  • 3beta,14,16beta-trihydroxy-5beta,20(22)-cardenolide
  • 4-[(3s,5r,8r,9s,10s,13r,14s,16s,17r)-3,14,16-trihydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-5h-furan-2-one
  • 5.beta.-card-20(22)-enolide, 3.beta.,14,16.beta.-trihydroxy-
  • 5beta,20(22)-cardenolide-3beta,14,16beta-triol
  • card-20(22)-enolide, 3,14,16-trihydroxy-, (3.beta.,5.beta.,16.beta.)-
  • megxp0_001900
CAS Number(s)
  • 545-26-6
InChIKey PVAMXWLZJKTXFW-VQMOFDJESA-N
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