Brazilin Tetraacetate

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Properties Simple | Detailed

Formula C24H22O9
IUPAC Name [(6as,11br)-6a-acetoxy-3,9-di(acetyloxy)-7,11b-dihydro-6h-indeno[2,1-c]chromen-10-yl] acetate
Molecular Mass 454.426 g·mol−1
Heat of Formation 107.0 ± 16.7 kJ·mol−1
Dipole Moment 2.79 ± 1.08 D
Volume 496.3 Å 3
Surface Area 432.45 Å 2
HOMO Energy -5.79 ± 0.55 eV
LUMO Energy -4.66 ± eV
Point Group Symmetry C1
Synonyms
  • [(6as,11br)-3,9,10-triacetoxy-7,11b-dihydro-6h-indeno[2,1-c]chromen-6a-yl] acetate
  • [(6as,11br)-3,9,10-triacetyloxy-7,11b-dihydro-6h-indeno[2,1-c]chromen-6a-yl] acetate
  • [(6as,11br)-3,9,10-triacetyloxy-7,11b-dihydro-6h-indeno[2,1-c]chromen-6a-yl] ethanoate
  • acetic acid [(6as,11br)-3,9,10-triacetoxy-7,11b-dihydro-6h-indeno[2,1-c]chromen-6a-yl] ester
  • brx-019
InChIKey QTWIUPRYNALMAA-BJKOFHAPSA-N
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