(3S,5S)-1-(4-Hydroxy-3,5-Dimethoxyphenyl)-7-(4-Hydroxy-3-Methoxyphenyl)-3,5-Heptanediol

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Properties Simple | Detailed

Formula C22H30O7
IUPAC Name (3s,5s)-1-(4-hydroxy-3,5-dimethoxy-phenyl)-7-(4-hydroxy-3-methoxy-phenyl)heptane-3,5-diol
Molecular Mass 406.469 g·mol−1
Heat of Formation -1134.0 ± 16.7 kJ·mol−1
Dipole Moment 3.48 ± 1.08 D
Volume 496.32 Å 3
Surface Area 449.18 Å 2
HOMO Energy -8.39 ± 0.55 eV
LUMO Energy 0.07 ± eV
Point Group Symmetry C1
Synonyms
  • (3s,5s)-1-(4-hydroxy-3,5-dimethoxy-phenyl)-7-(4-hydroxy-3-methoxy-phenyl)heptane-3,5-diol
  • (3s,5s)-1-(4-hydroxy-3,5-dimethoxyphenyl)-7-(4-hydroxy-3-methoxyphenyl)heptane-3,5-diol
  • 3,5-dihydroxy-1-(4'-hydroxy-3',5'-dimethoxyphenyl)-7-(4''-hydroxy-3''-methoxyphenyl)heptane
  • 3,5-dihydroxy-meodah
  • 3,5-heptanediol, 1-(4-hydroxy-3,5-dimethoxyphenyl)-7-(4-hydroxy-3-methoxyphenyl)-, (s-(r*,r*))-
CAS Number(s)
  • 145888-84-2
InChIKey UEKHBUNMFZUBFK-IRXDYDNUSA-N
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