Digitoxigenin

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Formula C23H34O4
IUPAC Name 3-[(3s,5r,8r,9s,10s,13r,14s,17r)-3,14-dihydroxy-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 374.514 g·mol−1
Heat of Formation -851.9 ± 16.7 kJ·mol−1
Dipole Moment 5.96 ± 1.08 D
Volume 462.58 Å 3
Surface Area 351.96 Å 2
HOMO Energy -10.19 ± 0.55 eV
LUMO Energy -0.33 ± eV
Point Group Symmetry C1
Synonyms
  • 3,14,21-trihydroxy-20(22)-norcholenic acid lactone
  • 3-beta,14beta-dihydroxy-5-beta-card-20(22)-enolide
  • 3beta,14-dihydroxy-5beta,20(22)-cardenolide
  • 4-(3,14-dihydroxy-10,13-dimethyl-hexadecahydro-cyclopenta[a]phenanthren-17-yl)-5h-furan-2-one
  • 5beta,20(22)-cardenolide-3beta,14-diol
  • bpbio1_000498
  • dtx
  • lmst01120001
CAS Number(s)
  • 143-62-4
InChIKey XZTUSOXSLKTKJQ-CESUGQOBSA-N
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