Cinobufagin

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Properties Simple | Detailed

Formula C26H34O6
IUPAC Name cinobufagin
Molecular Mass 442.545 g·mol−1
Heat of Formation -1000.0 ± 16.7 kJ·mol−1
Dipole Moment 2.65 ± 1.08 D
Volume 526.86 Å 3
Surface Area 404.65 Å 2
HOMO Energy -9.49 ± 0.55 eV
LUMO Energy -0.74 ± eV
Point Group Symmetry C1
Synonyms
  • 14,15beta-epoxy-3beta,16beta-dihydroxy-5beta,20(22)-bufadienolide 16-acetate
  • 5.beta.-bufa-20,22-dienolide, 14,15.beta.-epoxy-3.beta.,16.beta.-dihydroxy-, 16-acetate
  • 5beta,20(22)-bufadienolide-3beta,16beta-diol-14,15beta-epoxy 16-acetate
  • bufa-20,22-dienolide, 16-(acetyloxy)-14,15-epoxy-3-hydroxy-, (3.beta.,5.beta.,15.beta.,16.beta.)-
InChIKey SCULJPGYOQQXTK-OLRINKBESA-N
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