Iso-Calophyllic Acid

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Properties Simple | Detailed

Formula C25H24O6
IUPAC Name (z)-3-[(2r,3s)-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 -912.7 ± 16.7 kJ·mol−1
Dipole Moment 4.54 ± 1.08 D
Volume 495.15 Å 3
Surface Area 395.83 Å 2
HOMO Energy -8.71 ± 0.55 eV
LUMO Energy 2.62 ± eV
Point Group Symmetry C1
Synonyms
  • (z)-3-[(2r,3s)-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,3s)-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,3s)-5-hydroxy-4-keto-2,3,8,8-tetramethyl-2,3-dihydropyrano[2,3-f]chromen-6-yl]-3-phenyl-acrylic acid
  • isocalophyllic acid
InChIKey SSJOJPHKKKSPGS-ALRNZDJHSA-N
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