2,4-Dihydroxy-6-Methyl-3-{(2E)-3-Methyl-6-[5-(2-Methyl-1-Propen-1-Yl)-3-Furyl]-2-Hexen-1-Yl}Benzoic Acid

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Properties Simple | Detailed

Formula C23H28O5
IUPAC Name 2,4-dihydroxy-6-methyl-3-[(e)-3-methyl-6-[5-(2-methylprop-1-enyl)-3-furyl]hex-2-enyl]benzoic acid
Molecular Mass 384.465 g·mol−1
Heat of Formation -843.0 ± 16.7 kJ·mol−1
Dipole Moment 1.94 ± 1.08 D
Volume 493.6 Å 3
Surface Area 395.99 Å 2
HOMO Energy -8.34 ± 0.55 eV
LUMO Energy -0.47 ± eV
Point Group Symmetry C1
Synonyms
  • 2,4-dihydroxy-6-methyl-3-[(e)-3-methyl-6-[5-(2-methylprop-1-enyl)-3-furyl]hex-2-enyl]benzoic acid
  • 2,4-dihydroxy-6-methyl-3-[(e)-3-methyl-6-[5-(2-methylprop-1-enyl)furan-3-yl]hex-2-enyl]benzoic acid
  • 2,4-dihydroxy-6-methyl-3-[3-methyl-6-[5-(2-methylprop-1-enyl)-3-furyl]hex-2-enyl]benzoic acid
  • 2,4-dihydroxy-6-methyl-3-[3-methyl-6-[5-(2-methylprop-1-enyl)furan-3-yl]hex-2-enyl]benzoic acid
  • cristatic acid
  • cristatic acid -1 (permethyl deriv )
CAS Number(s)
  • 80557-13-7
InChIKey SHLSLIGKNZUPMK-OVCLIPMQSA-N
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