(1β,11β,12Alpha,15β)-1,11,12-Trihydroxy-2,16-Dioxo-11,20-Epoxypicras-3-En-15-Yl 2-Methylbutanoate

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Properties Simple | Detailed

Formula C25H34O9
IUPAC Name 1,11,12-trihydroxy-2,16-dioxo-11,20-epoxypicras-3-en-15-yl 2-methylbutanoate
Molecular Mass 478.532 g·mol−1
Heat of Formation -1645.7 ± 16.7 kJ·mol−1
Dipole Moment 5.55 ± 1.08 D
Volume 539.73 Å 3
Surface Area 386.36 Å 2
HOMO Energy -9.62 ± 0.55 eV
LUMO Energy 2.74 ± eV
Point Group Symmetry C1
InChIKey GCIFFNDSOLTCAI-NBEYFOSASA-N
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