[(2R,3S,4E)-4-(4-Hydroxy-3-Methoxybenzylidene)-2-(4-Hydroxy-3-Methoxyphenyl)Tetrahydro-3-Furanyl]Methyl 4-Hydroxybenzoate

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Properties Simple | Detailed

Formula C27H26O8
IUPAC Name 4-[[(2r,3s,4e)-2-(4-hydroxy-3-methoxy-phenyl)-4-[(3-methoxy-4-oxido-phenyl)methylene]tetrahydrofuran-3-yl]methoxycarbonyl]benzene-2,6-diid-1-olate
Molecular Mass 478.491 g·mol−1
Heat of Formation -1071.1 ± 16.7 kJ·mol−1
Dipole Moment 2.32 ± 1.08 D
Volume 562.34 Å 3
Surface Area 422.31 Å 2
HOMO Energy -8.56 ± 0.55 eV
LUMO Energy 2.51 ± eV
Point Group Symmetry C1
Synonyms
  • 4-hydroxybenzoic acid [(2r,3s,4e)-2-(4-hydroxy-3-methoxyphenyl)-4-[(4-hydroxy-3-methoxyphenyl)methylene]-3-tetrahydrofuranyl]methyl ester
  • 4-hydroxybenzoic acid [(2r,3s,4e)-4-(4-hydroxy-3-methoxy-benzylidene)-2-(4-hydroxy-3-methoxy-phenyl)tetrahydrofuran-3-yl]methyl ester
  • [(2r,3s,4e)-2-(4-hydroxy-3-methoxy-phenyl)-4-[(4-hydroxy-3-methoxy-phenyl)methylene]tetrahydrofuran-3-yl]methyl 4-hydroxybenzoate
  • [(2r,3s,4e)-2-(4-hydroxy-3-methoxy-phenyl)-4-[(4-hydroxy-3-methoxy-phenyl)methylidene]oxolan-3-yl]methyl 4-hydroxybenzoate
  • [(2r,3s,4e)-2-(4-hydroxy-3-methoxyphenyl)-4-[(4-hydroxy-3-methoxyphenyl)methylidene]oxolan-3-yl]methyl 4-hydroxybenzoate
InChIKey NYOJCGUMMQIVQV-HPMYTTEASA-N
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