6,6'-Dimethoxy-2-Methyloxyacanthan-7,12'-Diol

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Properties Simple | Detailed

Formula C26H22N2O6
IUPAC Name (1e)-8-[[(1z)-2-(3-hydroperoxyprop-2-ynyl)-6-hydroxy-1-azacyclodeca-1,6,7-trien-3-yn-5-yl]oxy]-2-methyl-1-(2-methylenecyclopropylidene)-3,4-dihydroisoquinoline-6,7-dione
Molecular Mass 458.463 g·mol−1
Heat of Formation -605.6 ± 16.7 kJ·mol−1
Dipole Moment 9.95 ± 1.08 D
Volume 686.38 Å 3
Surface Area 493.85 Å 2
HOMO Energy -8.37 ± 0.55 eV
LUMO Energy 0.04 ± eV
Point Group Symmetry C1
Synonyms
  • daphnoline
CAS Number(s)
  • 479-36-7
InChIKey AKGWXHYTRBFUAD-SXOMAYOGSA-N
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