Formula |
C26H28N2O12 |
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 |
560.507 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
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Synonyms
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- 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
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CAS Number(s) |
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InChIKey |
VPNZWBQNGLKMGR-IWDCVFEHSA-N |
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Links |
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Elements |
H
C
O
N
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