(2'R,3R)-4-[(E)-2-(3,5-Dihydroxyphenyl)Vinyl]-4',6,6'-Trihydroxy-2'-(4-Hydroxyphenyl)-7-Methoxy-3,3'-Spirobi[[1]Benzofuran]-2-One

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Properties Simple | Detailed

Formula C30H22O10
IUPAC Name (2r,3r)-4'-[(e)-2-(3,5-dihydroxyphenyl)vinyl]-4,6,6'-trihydroxy-2-(4-hydroxyphenyl)-7'-methoxy-spiro[2h-benzofuran-3,3'-benzofuran]-2'-one
Molecular Mass 542.490 g·mol−1
Heat of Formation -1286.6 ± 16.7 kJ·mol−1
Dipole Moment 3.38 ± 1.08 D
Volume 589.04 Å 3
Surface Area 454.47 Å 2
HOMO Energy -9.12 ± 0.55 eV
LUMO Energy -0.56 ± eV
Point Group Symmetry C1
Synonyms
  • (2'r,3r)-4-[(e)-2-(3,5-dihydroxyphenyl)ethenyl]-4',6,6'-trihydroxy-2'-(4-hydroxyphenyl)-7-methoxy-spiro[1-benzofuran-3,3'-2h-1-benzofuran]-2-one
  • (2'r,3r)-4-[(e)-2-(3,5-dihydroxyphenyl)ethenyl]-4',6,6'-trihydroxy-2'-(4-hydroxyphenyl)-7-methoxyspiro[1-benzofuran-3,3'-2h-1-benzofuran]-2-one
  • (2r,3r)-4'-[(e)-2-(3,5-dihydroxyphenyl)vinyl]-4,6,6'-trihydroxy-2-(4-hydroxyphenyl)-7'-methoxy-2'-spiro[2h-benzofuran-3,3'-benzofuran]one
  • (2r,3r)-4'-[(e)-2-(3,5-dihydroxyphenyl)vinyl]-4,6,6'-trihydroxy-2-(4-hydroxyphenyl)-7'-methoxy-spiro[2h-benzofuran-3,3'-benzofuran]-2'-one
InChIKey AXXVTNVJZLPKHY-BGGPHIJQSA-N
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