(2E)-3-{4-Hydroxy-3-[(2Z)-4-Hydroxy-3-Methyl-2-Buten-1-Yl]-5-(3-Methyl-2-Buten-1-Yl)Phenyl}Acrylic Acid

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Formula C19H24O4
IUPAC Name (e)-3-[4-hydroxy-3-[(z)-4-hydroxy-3-methyl-but-2-enyl]-5-(3-methylbut-2-enyl)phenyl]prop-2-enoic acid
Molecular Mass 316.392 g·mol−1
Heat of Formation -649.0 ± 16.7 kJ·mol−1
Dipole Moment 3.64 ± 1.08 D
Volume 405.62 Å 3
Surface Area 369.5 Å 2
HOMO Energy -8.89 ± 0.55 eV
LUMO Energy -0.75 ± eV
Point Group Symmetry C1
Synonyms
  • (e)-3-[4-hydroxy-3-[(z)-4-hydroxy-3-methyl-but-2-enyl]-5-(3-methylbut-2-enyl)phenyl]acrylic acid
  • (e)-3-[4-hydroxy-3-[(z)-4-hydroxy-3-methyl-but-2-enyl]-5-(3-methylbut-2-enyl)phenyl]prop-2-enoic acid
  • (e)-3-[4-hydroxy-3-[(z)-4-hydroxy-3-methylbut-2-enyl]-5-(3-methylbut-2-enyl)phenyl]prop-2-enoic acid
  • 2-propenoic acid, 3-(4-hydroxy-3-(4-hydroxy-3-methyl-2-butenyl)-5-(3-methyl-2-butenyl)phenyl)-, (e,z)-
CAS Number(s)
  • 85819-51-8
InChIKey HEFPIIHDRLNTDN-ZCVOOGJLSA-N
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