Calebin A

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Properties Simple | Detailed

Formula C21H20O7
IUPAC Name [(e)-4-(4-hydroxy-3-methoxy-phenyl)-2-oxo-but-3-enyl] (e)-3-(4-hydroxy-3-methoxy-phenyl)prop-2-enoate
Molecular Mass 384.379 g·mol−1
Heat of Formation -839.2 ± 16.7 kJ·mol−1
Dipole Moment 3.36 ± 1.08 D
Volume 444.24 Å 3
Surface Area 416.84 Å 2
HOMO Energy -8.81 ± 0.55 eV
LUMO Energy -0.79 ± eV
Point Group Symmetry C1
Synonyms
  • (3e)-4-(4-hydroxy-3-methoxyphenyl)-2-oxobut-3-en-1-yl (2e)-3-(4-hydroxy-3-methoxyphenyl)acrylate
  • (e)-3-(4-hydroxy-3-methoxy-phenyl)acrylic acid [(e)-4-(4-hydroxy-3-methoxy-phenyl)-2-keto-but-3-enyl] ester
  • (e)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoic acid [(e)-4-(4-hydroxy-3-methoxyphenyl)-2-oxobut-3-enyl] ester
  • 2-propenoic acid, 3-(4-hydroxy-3-methoxyphenyl)-, (3e)-4-(4-hydroxy-3-methoxyphenyl)-2-oxo-3-butenyl ester, (2e)-
  • 3-(4-hydroxy-3-methoxy-phenyl)-acrylic acid 4-(4-hydroxy-3-methoxy-phenyl)-2-oxo-but-3-enyl ester
  • 4''-(3'''-methoxy-4'''-hydroxyphenyl)-2''-oxo-3''-enebutanyl-3-(3'-methoxy-4'-hydroxyphenyl)propenoate
  • [(e)-4-(4-hydroxy-3-methoxy-phenyl)-2-oxo-but-3-enyl] (e)-3-(4-hydroxy-3-methoxy-phenyl)prop-2-enoate
  • [(e)-4-(4-hydroxy-3-methoxyphenyl)-2-oxobut-3-enyl] (e)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate
  • calebin-a
InChIKey UYEWRTKHKAVRDI-ASVGJQBISA-N
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