(6S,7S)-7-Hydroxy-3-[(1E)-3-Hydroxy-1-Propen-1-Yl]-7-Methyl-8-Oxo-5,6,7,8-Tetrahydro-1H-Isochromen-6-Yl 2-Hydroxy-4-Methoxy-6-Methylbenzoate

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Properties Simple | Detailed

Formula C22H24O8
IUPAC Name [(6s,7s)-7-hydroxy-3-[(e)-3-hydroxyprop-1-enyl]-7-methyl-8-oxo-5,6-dihydro-1h-isochromen-6-yl] 2-hydroxy-4-methoxy-6-methyl-benzoate
Molecular Mass 416.421 g·mol−1
Heat of Formation -1242.6 ± 16.7 kJ·mol−1
Dipole Moment 5.79 ± 1.08 D
Volume 469.34 Å 3
Surface Area 402.98 Å 2
HOMO Energy -8.77 ± 0.55 eV
LUMO Energy -0.98 ± eV
Point Group Symmetry C1
InChIKey BZFOKKQJMFIXDI-NQQCORKOSA-N
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