3,14-Dihydroxy-3β-Carda-4,20(22)-Dienolide

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Properties Simple | Detailed

Formula C23H32O4
IUPAC Name 3-[(3s,8r,9s,10r,13r,14s,17r)-3,14-dihydroxy-10,13-dimethyl-1,2,3,6,7,8,9,11,12,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]-2h-furan-5-one
Molecular Mass 372.498 g·mol−1
Heat of Formation -786.9 ± 16.7 kJ·mol−1
Dipole Moment 5.74 ± 1.08 D
Volume 455.49 Å 3
Surface Area 354.6 Å 2
HOMO Energy -9.73 ± 0.55 eV
LUMO Energy -0.21 ± eV
Point Group Symmetry C1
Synonyms
  • 4-[(3s,8r,9s,10r,13r,14s,17r)-3,14-dihydroxy-10,13-dimethyl-1,2,3,6,7,8,9,11,12,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]-5h-furan-2-one
  • canarigenin
  • carda-4,20(22)-dienolide, 3,14-dihydroxy-, (3beta)-
InChIKey UVVGWNHIKZRQLP-MITUEXOSSA-N
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