Methyl (16Z,20β,21β)-21-(β-L-Glucopyranosyloxy)-16-(Hydroxymethylene)Coryn-18-En-17-Oate

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Formula C27H25N2O9
IUPAC Name (2r)-2-[[(2s,3s,4s,5s,12bs)-2-[2-oxo-1-(oxomethylene)vinyl]-3-vinyl-2,3,4,6,7,10,11,12b-octahydro-1h-indolo[2,3-a]quinolizin-12-ium-10,11-diid-4-yl]oxy]-2-(2-oxovinyloxy)acetaldehyde; methanone; oxaldehyde
Molecular Mass 521.495 g·mol−1
Heat of Formation -1360.7 ± 16.7 kJ·mol−1
Dipole Moment 4.60 ± 1.08 D
Volume 614.48 Å 3
Surface Area 490.73 Å 2
HOMO Energy -8.37 ± 0.55 eV
LUMO Energy 2.70 ± eV
Point Group Symmetry C1
InChIKey XAYUCVICBPYPRE-LPRPFWDGSA-N
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