Methyl (5S,6R)-6-Hydroxy-2-(4-Hydroxyphenyl)-7,8-Dimethoxy-4,9-Dioxo-1-Oxaspiro[4.4]Nona-2,7-Diene-6-Carboxylate

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Properties Simple | Detailed

Formula C18H16O9
IUPAC Name methyl (5s,9r)-9-hydroxy-2-(4-hydroxyphenyl)-7,8-dimethoxy-4,6-dioxo-1-oxaspiro[4.4]nona-2,7-diene-9-carboxylate
Molecular Mass 376.314 g·mol−1
Heat of Formation -1149.5 ± 16.7 kJ·mol−1
Dipole Moment 6.76 ± 1.08 D
Volume 407.13 Å 3
Surface Area 346.15 Å 2
HOMO Energy -8.79 ± 0.55 eV
LUMO Energy 1.84 ± eV
Point Group Symmetry C1
Synonyms
  • (5s,6r)-6-hydroxy-2-(4-hydroxyphenyl)-4,9-diketo-7,8-dimethoxy-1-oxaspiro[4.4]nona-2,7-diene-6-carboxylic acid methyl ester
  • (5s,6r)-6-hydroxy-2-(4-hydroxyphenyl)-7,8-dimethoxy-4,9-dioxo-1-oxaspiro[4.4]nona-2,7-diene-6-carboxylic acid methyl ester
InChIKey PDQUFOPZEHNTQQ-ROUUACIJSA-N
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