(2R,3S)-2-(3,4-Dihydroxyphenyl)-3-(Heptyloxy)-5,7-Chromanediol

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Properties Simple | Detailed

Formula C22H28O6
IUPAC Name (2r,3s)-2-(3,4-dihydroxyphenyl)-3-heptoxy-chromane-5,7-diol
Molecular Mass 388.454 g·mol−1
Heat of Formation -1055.9 ± 16.7 kJ·mol−1
Dipole Moment 4.32 ± 1.08 D
Volume 470.08 Å 3
Surface Area 381.27 Å 2
HOMO Energy -8.86 ± 0.55 eV
LUMO Energy -0.05 ± eV
Point Group Symmetry C1
Synonyms
  • (2r,3s)-2-(3,4-dihydroxyphenyl)-3-heptoxy-chroman-5,7-diol
  • (2r,3s)-2-(3,4-dihydroxyphenyl)-3-heptoxychroman-5,7-diol
  • (2r-trans)-2-(3,4-dihydroxyphenyl)-3-(heptyloxy)-3,4-dihydro-2h-1-benzopyran-5,7-diol
  • heptyl-3-catechin
CAS Number(s)
  • 71628-07-4
InChIKey DFUVOFPBVOQUIM-FCHUYYIVSA-N
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