[(1S,2R,6R)-2-[2,6-Dihydroxy-4-[6-Hydroxy-7-(3-Methylbut-2-Enyl)Benzofuran-2-Yl]Phenyl]-6-(2,4-Dihydroxyphenyl)-4-Methyl-Cyclohex-3-En-1-Yl]-(2,4-Dihydroxyphenyl)Methanone

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Properties Simple | Detailed

Formula C39H36O9
IUPAC Name [(1s,2r,6r)-2-[2,6-dihydroxy-4-[6-hydroxy-7-(3-methylbut-2-enyl)benzofuran-2-yl]phenyl]-6-(2,4-dihydroxyphenyl)-4-methyl-cyclohex-3-en-1-yl]-(2,4-dihydroxyphenyl)methanone
Molecular Mass 648.698 g·mol−1
Heat of Formation -1233.0 ± 16.7 kJ·mol−1
Dipole Moment 5.79 ± 1.08 D
Volume 748.87 Å 3
Surface Area 553.22 Å 2
HOMO Energy -8.53 ± 0.55 eV
LUMO Energy -0.73 ± eV
Point Group Symmetry C1
InChIKey TZOIGLRIMJUSFR-WEPHICOPSA-N
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