Telecinobufagin

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Formula C24H34O5
IUPAC Name 5-[(3s,5s,8r,9s,10r,13r,14s,17r)-3,5,14-trihydroxy-10,13-dimethyl-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1h-cyclopenta[a]phenanthren-17-yl]pyran-2-one
Molecular Mass 402.524 g·mol−1
Heat of Formation -1034.7 ± 16.7 kJ·mol−1
Dipole Moment 7.59 ± 1.08 D
Volume 481.61 Å 3
Surface Area 363.96 Å 2
HOMO Energy -9.14 ± 0.55 eV
LUMO Energy -0.45 ± eV
Point Group Symmetry C1
Synonyms
  • 5-[(3s,5s,8r,9s,10r,13r,14s,17r)-3,5,14-trihydroxy-10,13-dimethyl-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1h-cyclopenta[a]phenanthren-17-yl]-2-pyranone
  • 5-[(3s,5s,8r,9s,10r,13r,14s,17r)-3,5,14-trihydroxy-10,13-dimethyl-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1h-cyclopenta[a]phenanthren-17-yl]pyran-2-one
  • 5.beta.-bufa-20,22-dienolide, 3.beta.,5,14-trihydroxy-
  • bufa-20,22-dienolide, 3,5,14-trihydroxy-, (3.beta.,5.beta.)-
  • telocinobufagin
  • telocinobufogenin
CAS Number(s)
  • 472-26-4
InChIKey PBSOJKPTQWWJJD-ZBDZJSKLSA-N
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