(2Z)-3-[(2R,3R)-5-Hydroxy-2,3,8,8-Tetramethyl-4-Oxo-3,4-Dihydro-2H,8H-Pyrano[2,3-F]Chromen-6-Yl]-3-Phenylacrylic Acid

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Formula C25H24O6
IUPAC Name (z)-3-[(2r,3r)-5-hydroxy-2,3,8,8-tetramethyl-4-oxo-2,3-dihydropyrano[2,3-h]chromen-6-yl]-3-phenyl-prop-2-enoic acid
Molecular Mass 420.454 g·mol−1
Heat of Formation -913.9 ± 16.7 kJ·mol−1
Dipole Moment 4.44 ± 1.08 D
Volume 495.86 Å 3
Surface Area 399.81 Å 2
HOMO Energy -8.70 ± 0.55 eV
LUMO Energy 2.62 ± eV
Point Group Symmetry C1
Synonyms
  • (z)-3-[(2r,3r)-5-hydroxy-2,3,8,8-tetramethyl-4-oxo-2,3-dihydropyrano[6,5-f]chromen-6-yl]-3-phenyl-prop-2-enoic acid
  • (z)-3-[(2r,3r)-5-hydroxy-2,3,8,8-tetramethyl-4-oxo-2,3-dihydropyrano[6,5-f]chromen-6-yl]-3-phenylprop-2-enoic acid
  • (z)-3-[(2r,3r)-5-hydroxy-4-keto-2,3,8,8-tetramethyl-2,3-dihydropyrano[2,3-f]chromen-6-yl]-3-phenyl-acrylic acid
  • calophyllic acid
InChIKey SSJOJPHKKKSPGS-BZDXGLJRSA-N
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