(2E)-3-{2-Hydroxy-4-[(2R,3R)-3-(Hydroxymethyl)-5-Methoxy-2,3-Dihydro-1-Benzofuran-2-Yl]-5-Methoxyphenyl}Acrylaldehyde

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Properties Simple | Detailed

Formula C20H20O6
IUPAC Name (e)-3-[2-hydroxy-4-[(2r,3r)-3-(hydroxymethyl)-5-methoxy-2,3-dihydrobenzofuran-2-yl]-5-methoxy-phenyl]prop-2-enal
Molecular Mass 356.369 g·mol−1
Heat of Formation -698.6 ± 16.7 kJ·mol−1
Dipole Moment 5.24 ± 1.08 D
Volume 417.39 Å 3
Surface Area 367.61 Å 2
HOMO Energy -8.30 ± 0.55 eV
LUMO Energy -0.80 ± eV
Point Group Symmetry C1
Synonyms
  • (2r-(2alpha(e),3alpha))-3-(4-(2,3-dihydro-3-(hydroxymethyl)-5-methoxy-2-benzofuranyl)-2-hydroxy-5-methoxyphenyl)-2-propenal
  • (e)-3-[2-hydroxy-4-[(2r,3r)-3-(hydroxymethyl)-5-methoxy-2,3-dihydro-1-benzofuran-2-yl]-5-methoxy-phenyl]prop-2-enal
  • (e)-3-[2-hydroxy-4-[(2r,3r)-3-(hydroxymethyl)-5-methoxy-2,3-dihydro-1-benzofuran-2-yl]-5-methoxyphenyl]prop-2-enal
  • (e)-3-[2-hydroxy-4-[(2r,3r)-3-(hydroxymethyl)-5-methoxy-2,3-dihydrobenzofuran-2-yl]-5-methoxy-phenyl]prop-2-enal
  • (e)-3-[2-hydroxy-4-[(2r,3r)-3-(hydroxymethyl)-5-methoxy-2,3-dihydrobenzofuran-2-yl]-5-methoxyphenyl]prop-2-enal
  • (e)-3-[2-hydroxy-5-methoxy-4-[(2r,3r)-5-methoxy-3-methylol-2,3-dihydrobenzofuran-2-yl]phenyl]acrolein
  • 2-propenal, 3-(4-(2,3-dihydro-3-(hydroxymethyl)-5-methoxy-2-benzofuranyl)-2-hydroxy-5-methoxyphenyl)-, (2r-(2alpha(e),3alpha))-
CAS Number(s)
  • 136880-81-4
InChIKey UYQOLTUJESFUSW-ZLSGJYCMSA-N
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