(1β,2Alpha,11β,12Alpha,15β)-1,2,11,12-Tetrahydroxy-16-Oxo-11,20-Epoxypicras-3-En-15-Yl (2S)-2-Hydroxy-2-Methylbutanoate

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Properties Simple | Detailed

Formula C22H16O10
IUPAC Name (1beta,2alpha,11beta,12alpha,15beta)-1,2,11,12-tetrahydroxy-16-oxo-11,20-epoxypicras-3-en-15-yl (2s)-2-hydroxy-2-methylbutanoate
Molecular Mass 440.356 g·mol−1
Heat of Formation -1901.0 ± 16.7 kJ·mol−1
Dipole Moment 4.78 ± 1.08 D
Volume 558.73 Å 3
Surface Area 414.97 Å 2
HOMO Energy -9.86 ± 0.55 eV
LUMO Energy -0.04 ± eV
Point Group Symmetry C1
Synonyms
  • glaucarubin
CAS Number(s)
  • 1448-23-3
InChIKey LZKVXMYVBSNXER-YZPKDWIXSA-N
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Elements H C O