3B,5,14-Trihydroxy-5B-Card-20(22)-Enolide

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Properties Simple | Detailed

Formula C23H34O5
IUPAC Name 3-[(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]-2h-furan-5-one
Molecular Mass 390.513 g·mol−1
Heat of Formation -1066.3 ± 16.7 kJ·mol−1
Dipole Moment 8.48 ± 1.08 D
Volume 468.84 Å 3
Surface Area 354.69 Å 2
HOMO Energy -9.94 ± 0.55 eV
LUMO Energy -0.09 ± eV
Point Group Symmetry C1
Synonyms
  • 3-beta,5,14-trihydroxy-5-beta-card-20(22)-enolide
  • 4-[(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]-5h-furan-2-one
  • 5-beta-card-20(22)-enolide, 3-beta,5,14-trihydroxy-
  • 5-beta-hydroxydigitoxigenin
  • card-20(22)-enolide, 3,5,14-trihydroxy-, (3-beta,5-beta)- (9ci)
  • desoxostrophanthidin
  • periplogenin
CAS Number(s)
  • 514-39-6
InChIKey QJPCKAJTLHDNCS-FBAXFMHRSA-N
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