1,2-Benzenediol, 4-[(2R,3R)-2,3-Dihydro-3-(Hydroxymethyl)-6-[(1E)-3-Hydroxy-1-Propenyl]-1,4-Benzodioxin-2-Yl]-

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Properties Simple | Detailed

Formula C18H18O6
IUPAC Name 4-[(2r,3r)-3-(hydroxymethyl)-6-[(e)-3-hydroxyprop-1-enyl]-2,3-dihydro-1,4-benzodioxin-2-yl]benzene-1,2-diol
Molecular Mass 330.332 g·mol−1
Heat of Formation -804.8 ± 16.7 kJ·mol−1
Dipole Moment 4.32 ± 1.08 D
Volume 376.14 Å 3
Surface Area 339.75 Å 2
HOMO Energy -8.74 ± 0.55 eV
LUMO Energy 2.54 ± eV
Point Group Symmetry C1
Synonyms
  • 1,2-benzenediol, 4-((2r,3r)-2,3-dihydro-3-(hydroxymethyl)-6-((1e)-3-hydroxy-1-propenyl)-1,4-benzodioxin-2-yl)-, rel-
  • 1,2-benzenediol, 4-(2,3-dihydro-3-(hydroxymethyl)-6-(3-hydroxy-1-propenyl)-1,4-benzodioxin-2-yl)-, (2alpha,3beta,6(e))-
  • 4-[(2r,3r)-7-[(e)-3-hydroxyprop-1-enyl]-2-methylol-2,3-dihydro-1,4-benzodioxin-3-yl]pyrocatechol
  • 4-[3-hydroxymethyl-6-(3-hydroxy-propenyl)-2,3-dihydro-benzo[1,4]dioxin-2-yl]-benzene-1,2-diol
  • rel-(7'e)-(7alpha,8beta)-3,4,9,9'-tetrahydroxy-4',7-epoxy-8,3'-oxyneolign-7'-ene
  • rel-4-{(2r,3r)-3-(hydroxymethyl)-6-[(1e)-3-hydroxyprop-1-en-1-yl]-2,3-dihydro-1,4-benzodioxin-2-yl}benzene-1,2-diol
CAS Number(s)
  • 133838-65-0
InChIKey NKYXNCKZTCGVJJ-ZHEVZCJESA-N
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