4-{[(3R,4R,5S)-5-(4-Hydroxy-3-Methoxyphenyl)-4-(Hydroxymethyl)Tetrahydro-3-Furanyl]Methyl}-2,6-Dimethoxyphenol

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Properties Simple | Detailed

Formula C21H26O7
IUPAC Name 4-[[(3r,4r,5s)-5-(4-hydroxy-3-methoxy-phenyl)-4-(hydroxymethyl)tetrahydrofuran-3-yl]methyl]-2,6-dimethoxy-phenol
Molecular Mass 390.427 g·mol−1
Heat of Formation -1041.8 ± 16.7 kJ·mol−1
Dipole Moment 3.41 ± 1.08 D
Volume 457.63 Å 3
Surface Area 397.55 Å 2
HOMO Energy -8.49 ± 0.55 eV
LUMO Energy -0.03 ± eV
Point Group Symmetry C1
Synonyms
  • 2-(4-hydroxy-3-methoxyphenyl)-4-((4-hydroxy-3,5-dimethoxyphenyl)methyl)-tetrahydrofuran-3-methanol
  • 3-furanmethanol, tetrahydro-4-((4-hydroxy-3,5-dimethoxyphenyl)methyl)-2-(4-hydroxy-3-methoxyphenyl)-, (2s-(2alpha,3beta,4beta))-
  • 4-[[(3r,4r,5s)-5-(4-hydroxy-3-methoxy-phenyl)-4-(hydroxymethyl)oxolan-3-yl]methyl]-2,6-dimethoxy-phenol
  • 4-[[(3r,4r,5s)-5-(4-hydroxy-3-methoxy-phenyl)-4-(hydroxymethyl)tetrahydrofuran-3-yl]methyl]-2,6-dimethoxy-phenol
  • 4-[[(3r,4r,5s)-5-(4-hydroxy-3-methoxy-phenyl)-4-methylol-tetrahydrofuran-3-yl]methyl]-2,6-dimethoxy-phenol
  • 4-[[(3r,4r,5s)-5-(4-hydroxy-3-methoxyphenyl)-4-(hydroxymethyl)-3-tetrahydrofuranyl]methyl]-2,6-dimethoxyphenol
  • 4-[[(3r,4r,5s)-5-(4-hydroxy-3-methoxyphenyl)-4-(hydroxymethyl)oxolan-3-yl]methyl]-2,6-dimethoxyphenol
  • justiciresinol
CAS Number(s)
  • 136051-41-7
InChIKey LNRXVGSOOWBFAI-VFCRVFHLSA-N
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