Methyl (2S,3S)-2-(3,4-Dihydroxyphenyl)-4-[(1E)-3-{[(2R)-3-(3,4-Dihydroxyphenyl)-1-Methoxy-1-Oxo-2-Propanyl]Oxy}-3-Oxo-1-Propen-1-Yl]-7-Hydroxy-2,3-Dihydro-1-Benzofuran-3-Carboxylate

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Properties Simple | Detailed

Formula C29H26O12
IUPAC Name methyl (2s,3s)-2-(3,4-dihydroxyphenyl)-4-[(e)-3-[(1r)-1-[(3,4-dihydroxyphenyl)methyl]-2-methoxy-2-oxo-ethoxy]-3-oxo-prop-1-enyl]-7-hydroxy-2,3-dihydrobenzofuran-3-carboxylate
Molecular Mass 566.510 g·mol−1
Heat of Formation -1750.0 ± 16.7 kJ·mol−1
Dipole Moment 1.71 ± 1.08 D
Volume 635.51 Å 3
Surface Area 482.93 Å 2
HOMO Energy -8.90 ± 0.55 eV
LUMO Energy -0.63 ± eV
Point Group Symmetry C1
InChIKey YAXTXMBBIHBGPZ-ZBBBDWFHSA-N
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Elements H C O