(2'R,3S)-4-[(E)-2-(3,5-Dihydroxy-4-Methoxyphenyl)Vinyl]-4',6,6'-Trihydroxy-2'-(4-Hydroxyphenyl)-3,3'-Spirobi[[1]Benzofuran]-2-One

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Properties Simple | Detailed

Formula C30H22O10
IUPAC Name (2r,3s)-4'-[(e)-2-(3,5-dihydroxy-4-methoxy-phenyl)vinyl]-4,6,6'-trihydroxy-2-(4-hydroxyphenyl)spiro[2h-benzofuran-3,3'-benzofuran]-2'-one
Molecular Mass 542.490 g·mol−1
Heat of Formation -1274.8 ± 16.7 kJ·mol−1
Dipole Moment 4.91 ± 1.08 D
Volume 588.96 Å 3
Surface Area 431.79 Å 2
HOMO Energy -8.43 ± 0.55 eV
LUMO Energy -0.32 ± eV
Point Group Symmetry C1
Synonyms
  • (2'r,3s)-4-[(e)-2-(3,5-dihydroxy-4-methoxy-phenyl)ethenyl]-4',6,6'-trihydroxy-2'-(4-hydroxyphenyl)spiro[1-benzofuran-3,3'-2h-1-benzofuran]-2-one
  • (2'r,3s)-4-[(e)-2-(3,5-dihydroxy-4-methoxyphenyl)ethenyl]-4',6,6'-trihydroxy-2'-(4-hydroxyphenyl)spiro[1-benzofuran-3,3'-2h-1-benzofuran]-2-one
  • (2r,3s)-4'-[(e)-2-(3,5-dihydroxy-4-methoxy-phenyl)vinyl]-4,6,6'-trihydroxy-2-(4-hydroxyphenyl)spiro[2h-benzofuran-3,3'-benzofuran]-2'-one
  • (2r,3s)-4'-[(e)-2-(3,5-dihydroxy-4-methoxyphenyl)vinyl]-4,6,6'-trihydroxy-2-(4-hydroxyphenyl)-2'-spiro[2h-benzofuran-3,3'-benzofuran]one
InChIKey UMQRRGZFEXVPFD-ZJVMSYRRSA-N
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