Magnolone

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Properties Simple | Detailed

Formula C21H22O7
IUPAC Name [(3s,4r,5s)-5-(1,3-benzodioxol-5-yl)-4-(hydroxymethyl)tetrahydrofuran-3-yl]-(3,4-dimethoxyphenyl)methanone
Molecular Mass 386.395 g·mol−1
Heat of Formation -918.0 ± 16.7 kJ·mol−1
Dipole Moment 3.53 ± 1.08 D
Volume 447.74 Å 3
Surface Area 344.24 Å 2
HOMO Energy -8.81 ± 0.55 eV
LUMO Energy 2.67 ± eV
Point Group Symmetry C1
Synonyms
  • [(3s,4r,5s)-5-(1,3-benzodioxol-5-yl)-4-(hydroxymethyl)-3-tetrahydrofuranyl]-(3,4-dimethoxyphenyl)methanone
  • [(3s,4r,5s)-5-(1,3-benzodioxol-5-yl)-4-(hydroxymethyl)oxolan-3-yl]-(3,4-dimethoxyphenyl)methanone
  • [(3s,4r,5s)-5-(1,3-benzodioxol-5-yl)-4-(hydroxymethyl)tetrahydrofuran-3-yl]-(3,4-dimethoxyphenyl)methanone
  • [(3s,4r,5s)-5-(1,3-benzodioxol-5-yl)-4-methylol-tetrahydrofuran-3-yl]-(3,4-dimethoxyphenyl)methanone
InChIKey RYPHKZUVFXPUMU-PDSXEYIOSA-N
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