1,5-Anhydro-6-Deoxy-1-(1-Hydroxy-10,12-Dimethoxy-8-Methyl-6-Oxo-6H-Dibenzo[C,H]Chromen-4-Yl)-3-C-Methylhexitol

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Properties Simple | Detailed

Formula C27H29O9+
IUPAC Name 1-hydroxy-10,12-dimethoxy-8-methyl-4-[(2s,3r,4r,5r,6r)-3,4,5-trihydroxy-4,6-dimethyl-tetrahydropyran-2-yl]naphtho[1,2-c]isochromen-6-one
Molecular Mass 497.514 g·mol−1
Heat of Formation -1412.0 ± 16.7 kJ·mol−1
Dipole Moment 8.33 ± 1.08 D
Volume 544.21 Å 3
Surface Area 439.32 Å 2
HOMO Energy -8.32 ± 0.55 eV
LUMO Energy 2.67 ± eV
Point Group Symmetry C1
InChIKey BJPYMDSMDBCKEP-RVADBEJCSA-N
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Elements H C O