6',7'-Epoxybergamottin

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Properties Simple | Detailed

Formula C21H23O5+
IUPAC Name 4-[(e)-5-[(2s)-3,3-dimethyloxiran-2-yl]-3-methyl-pent-2-enoxy]furo[3,2-g]chromen-7-one
Molecular Mass 355.404 g·mol−1
Heat of Formation -507.3 ± 16.7 kJ·mol−1
Dipole Moment 6.97 ± 1.08 D
Volume 434.46 Å 3
Surface Area 359.25 Å 2
HOMO Energy -9.19 ± 0.55 eV
LUMO Energy -1.21 ± eV
Point Group Symmetry C1
InChIKey OOKSPQLCQUBEKU-RORWEDLISA-N
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