6-Oxo-6H-Indolo[3,2,1-De][1,5]Naphthyridin-11-Yl 6-O-β-D-Glucopyranosyl-β-D-Glucopyranoside

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Properties Simple | Detailed

Formula C20H10N2O12
IUPAC Name 2-(2,3-dioxopent-4-enoyl)-6-hydroxy-5-methyl-4-methylene-7h-[1,3]dioxino[4,5-c]pyrrol-6-ium-7-carbonitrile; 6-(oxomethylene)tetrahydropyran-2,3,4,5-tetrone
Molecular Mass 470.300 g·mol−1
Heat of Formation -1796.3 ± 16.7 kJ·mol−1
Dipole Moment 4.13 ± 1.08 D
Volume 608.46 Å 3
Surface Area 497.02 Å 2
HOMO Energy -9.04 ± 0.55 eV
LUMO Energy -1.61 ± eV
Point Group Symmetry C1
Synonyms
  • 11-o-glucopyranosyl-1-6-glucopyranosylcanthin-6-one
  • 6h-indolo(3,2,1-de)(1,5)naphthyridin-6-one, 11-((6-o-beta-d-glucopyranosyl-beta-d-glucopyranosyl)oxy)-
  • bruceolline a
CAS Number(s)
  • 159194-90-8
InChIKey VPNZWBQNGLKMGR-IWDCVFEHSA-N
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