Brosimacutin G

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Properties Simple | Detailed

Formula C20H20O6
IUPAC Name (e)-1-[(2s,3s)-3,4-dihydroxy-2-(1-hydroxy-1-methyl-ethyl)-2,3-dihydrobenzofuran-5-yl]-3-(4-hydroxyphenyl)prop-2-en-1-one
Molecular Mass 356.369 g·mol−1
Heat of Formation -840.1 ± 16.7 kJ·mol−1
Dipole Moment 4.77 ± 1.08 D
Volume 411.38 Å 3
Surface Area 369.34 Å 2
HOMO Energy -8.94 ± 0.55 eV
LUMO Energy -0.62 ± eV
Point Group Symmetry C1
Synonyms
  • (e)-1-[(2s,3s)-3,4-dihydroxy-2-(1-hydroxy-1-methyl-ethyl)-2,3-dihydrobenzofuran-5-yl]-3-(4-hydroxyphenyl)prop-2-en-1-one
  • (e)-1-[(2s,3s)-3,4-dihydroxy-2-(1-hydroxy-1-methylethyl)-2,3-dihydrobenzofuran-5-yl]-3-(4-hydroxyphenyl)prop-2-en-1-one
  • (e)-1-[(2s,3s)-3,4-dihydroxy-2-(2-hydroxypropan-2-yl)-2,3-dihydro-1-benzofuran-5-yl]-3-(4-hydroxyphenyl)prop-2-en-1-one
InChIKey KJPLNWFZFTXFPY-FQMXMGHCSA-N
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