Digoxigenin

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Formula C23H34O5
IUPAC Name 3-[(3s,5r,8r,9s,10s,12r,13s,14s,17r)-3,12,14-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 -1048.3 ± 16.7 kJ·mol−1
Dipole Moment 4.26 ± 1.08 D
Volume 471.73 Å 3
Surface Area 355.96 Å 2
HOMO Energy -10.22 ± 0.55 eV
LUMO Energy -0.30 ± eV
Point Group Symmetry C1
Synonyms
  • (3beta,5beta,12beta)-3,12,14-trihydroxycard-20(22)-enolide
  • 3-beta,12-beta,14-trihydroxy-card-20(22)-enolide
  • 3beta,12beta,14-trihydroxy-5beta-card-20(22)-enolide
  • 4-(3,12,14-trihydroxy-10,13-dimethyl-hexadecahydro-cyclopenta[a]phenanthren-17-yl)-5h-furan-2-one
  • 4-[(3s,5r,8r,9s,10s,12r,13s,14s,17r)-3,12,14-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,12-beta,14-trihydroxy-
  • bpbio1_000734
  • card-20(22)-enolide, 3,12,14-trihydroxy-, (3-beta,5-beta,12-beta)- (9ci)
  • delta-sup(20:22)-3-beta,12-beta,14,21-tetrahydroxynorcholenic acid lactone
  • digoxigenine
  • dog
  • lanadigenin
CAS Number(s)
  • 1672-46-4
InChIKey SHIBSTMRCDJXLN-KCZCNTNESA-N
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