Methyl (11β,12Alpha,13β,15β)-15-(Benzoyloxy)-3,11,12-Trihydroxy-2,16-Dioxo-13,20-Epoxypicras-3-En-21-Oate

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Properties Simple | Detailed

Formula C22H14O11
IUPAC Name methyl (11beta,12alpha,13beta,15beta)-15-(benzoyloxy)-3,11,12-trihydroxy-2,16-dioxo-13,20-epoxypicras-3-en-21-oate
Molecular Mass 454.340 g·mol−1
Heat of Formation -1771.5 ± 16.7 kJ·mol−1
Dipole Moment 7.62 ± 1.08 D
Volume 581.03 Å 3
Surface Area 440.58 Å 2
HOMO Energy -9.17 ± 0.55 eV
LUMO Energy -0.80 ± eV
Point Group Symmetry C1
Synonyms
  • picras-3-en-21-oic acid, 15-(benzoyloxy)-13,20-epoxy-3,11,12-trihydroxy-2,16-dioxo-, methyl ester, (11beta,12alpha,15beta)-
InChIKey TUKVWIYSWDDKKX-QQHLYMAWSA-N
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