4-Hydroxy-3-(3-Methyl-2-Buten-1-Yl)Benzyl (2R)-4-Hydroxy-3-(4-Hydroxyphenyl)-2-Methyl-5-Oxo-2,5-Dihydro-2-Furancarboxylate

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Properties Simple | Detailed

Formula C24H24O7
IUPAC Name [4-hydroxy-3-(3-methylbut-2-enyl)phenyl]methyl (2r)-4-hydroxy-3-(4-hydroxyphenyl)-2-methyl-5-oxo-furan-2-carboxylate
Molecular Mass 424.443 g·mol−1
Heat of Formation -1013.0 ± 16.7 kJ·mol−1
Dipole Moment 8.19 ± 1.08 D
Volume 501.78 Å 3
Surface Area 386.45 Å 2
HOMO Energy -9.19 ± 0.55 eV
LUMO Energy -0.69 ± eV
Point Group Symmetry C1
Synonyms
  • (2r)-4-hydroxy-3-(4-hydroxyphenyl)-2-methyl-5-oxo-2-furancarboxylic acid [4-hydroxy-3-(3-methylbut-2-enyl)phenyl]methyl ester
  • (2r)-4-hydroxy-3-(4-hydroxyphenyl)-5-keto-2-methyl-furan-2-carboxylic acid [4-hydroxy-3-(3-methylbut-2-enyl)benzyl] ester
  • 2-furancarboxylic acid, 2,5-dihydro-4-hydroxy-2-((4-hydroxy-3-(3-methyl-2-butenyl)phenyl)methyl)-3-(4-hydroxyphenyl)-5-oxo-, methyl ester
  • [4-hydroxy-3-(3-methylbut-2-enyl)phenyl]methyl (2r)-4-hydroxy-3-(4-hydroxyphenyl)-2-methyl-5-oxo-furan-2-carboxylate
  • [4-hydroxy-3-(3-methylbut-2-enyl)phenyl]methyl (2r)-4-hydroxy-3-(4-hydroxyphenyl)-2-methyl-5-oxofuran-2-carboxylate
  • alpha-oxo-beta-(4-hydroxyphenyl)-gamma-(4-hydroxy-m-3,3-dimethylallylbenzyl)-gamma-methoxycarbonyl-gamma-butyrolactone
CAS Number(s)
  • 87414-49-1
InChIKey FPVUCBMBMUHRDX-XMMPIXPASA-N
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