Methyl (3Ar,8Bs)-3-(3,4-Dihydroxyphenyl)-2,7-Dihydroxy-1-Oxo-1,8B-Dihydro-3Ah-Benzo[B]Cyclopenta[D]Furan-3A-Carboxylate

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Properties Simple | Detailed

Formula C19H14O8
IUPAC Name methyl (3ar,8bs)-3-(3,4-dihydroxyphenyl)-2,7-dihydroxy-1-oxo-8bh-cyclopenta[b]benzofuran-3a-carboxylate
Molecular Mass 370.310 g·mol−1
Heat of Formation -1048.2 ± 16.7 kJ·mol−1
Dipole Moment 2.22 ± 1.08 D
Volume 393.13 Å 3
Surface Area 340.61 Å 2
HOMO Energy -8.87 ± 0.55 eV
LUMO Energy 1.95 ± eV
Point Group Symmetry C1
Synonyms
  • (3ar,8bs)-3-(3,4-dihydroxyphenyl)-2,7-dihydroxy-1-keto-8bh-cyclopenta[b]benzofuran-3a-carboxylic acid methyl ester
  • (3ar,8bs)-3-(3,4-dihydroxyphenyl)-2,7-dihydroxy-1-oxo-8bh-cyclopenta[b]benzofuran-3a-carboxylic acid methyl ester
  • methyl (3ar,8bs)-3-(3,4-dihydroxyphenyl)-2,7-dihydroxy-1-oxo-8bh-cyclopenta[b][1]benzoxole-3a-carboxylate
  • methyl (3ar,8bs)-3-(3,4-dihydroxyphenyl)-2,7-dihydroxy-1-oxo-8bh-cyclopenta[b]benzofuran-3a-carboxylate
InChIKey MWJUVQKVZFIANK-BEFAXECRSA-N
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