Methyl (2R)-4-Hydroxy-6'-Methoxy-6-Methyl-3,4'-Dioxo-3H-Spiro[1-Benzofuran-2,1'-Cyclohexa[2,5]Diene]-2'-Carboxylate

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Properties Simple | Detailed

Formula C17H14O7
IUPAC Name methyl (2r)-4-hydroxy-5'-methoxy-6-methyl-3,3'-dioxo-spiro[benzofuran-2,6'-cyclohexa-1,4-diene]-1'-carboxylate
Molecular Mass 330.289 g·mol−1
Heat of Formation -893.9 ± 16.7 kJ·mol−1
Dipole Moment 6.66 ± 1.08 D
Volume 362.71 Å 3
Surface Area 320.42 Å 2
HOMO Energy -9.44 ± 0.55 eV
LUMO Energy -1.19 ± eV
Point Group Symmetry C1
Synonyms
  • (-)-bisdechlorogeodin
  • (2r)-4-hydroxy-3,3'-diketo-5'-methoxy-6-methyl-spiro[benzofuran-2,6'-cyclohexa-1,4-diene]-1'-carboxylic acid methyl ester
  • (2r)-4-hydroxy-5'-methoxy-6-methyl-3,3'-dioxo-1'-spiro[benzofuran-2,6'-cyclohexa-1,4-diene]carboxylic acid methyl ester
  • methyl (2r)-4-hydroxy-5'-methoxy-6-methyl-3,3'-dioxo-spiro[1-benzofuran-2,6'-cyclohexa-1,4-diene]-1'-carboxylate
  • methyl (2r)-4-hydroxy-5'-methoxy-6-methyl-3,3'-dioxo-spiro[benzofuran-2,6'-cyclohexa-1,4-diene]-1'-carboxylate
  • methyl (2r)-4-hydroxy-5'-methoxy-6-methyl-3,3'-dioxospiro[1-benzofuran-2,6'-cyclohexa-1,4-diene]-1'-carboxylate
  • methyl (2r)-4-hydroxy-6-methyl-4'-oxo-3h-spiro[1-benzofuran-2,1'-cyclohexa[2,5]diene]-2'-carboxylate
InChIKey JCMPRFCVZKOFIT-QGZVFWFLSA-N
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