Atranorin

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Properties Simple | Detailed

Formula C19H18O8
IUPAC Name (3-hydroxy-4-methoxycarbonyl-2,5-dimethyl-phenyl) 3-formyl-2,4-dihydroxy-6-methyl-benzoate
Molecular Mass 374.341 g·mol−1
Heat of Formation -1311.1 ± 16.7 kJ·mol−1
Dipole Moment 4.38 ± 1.08 D
Volume 421.44 Å 3
Surface Area 363.02 Å 2
HOMO Energy -9.47 ± 0.55 eV
LUMO Energy -0.98 ± eV
Point Group Symmetry C1
Synonyms
  • 3-hydroxy-4-(methoxycarbonyl)-2,5-dimethylphenyl 3-formyl-2,4-dihydroxy-6-methylbenzoate
  • 4-(3-formyl-2,4-dihydroxy-6-methyl-benzoyl)oxy-2-hydroxy-3,6-dimethyl-benzoic acid methyl ester
  • 4-[(3-formyl-2,4-dihydroxy-6-methylphenyl)-oxomethoxy]-2-hydroxy-3,6-dimethylbenzoic acid methyl ester
  • antranoric acid
  • atranoric acid
  • atranorine
  • benzoic acid, 3-formyl-2,4-dihydroxy-6-methyl-, 3-hydroxy-4-(methoxycarbonyl)-2,5-dimethylphenyl ester
  • benzoic acid, 3-formyl-2,4-dihydroxy-6-methyl-, 3-hydroxy-4-(methoxycarbonyl)-2,5-dimethylphenyl ester (9ci)
  • isophthalaldehydic acid, 2,4-dihydroxy-6-methyl-, 4-ester with methyl 3,6-dimethyl-.beta.-resorcylate
  • isophthalaldehydic acid, 2,4-dihydroxy-6-methyl-, 4-ester with methyl 3,6-dimethyl-beta-resorcylate (8ci)
  • methyl 4-(2,4-dihydroxy-3-methanoyl-6-methyl-phenyl)carbonyloxy-2-hydroxy-3,6-dimethyl-benzoate
  • methyl 4-(3-formyl-2,4-dihydroxy-6-methyl-benzoyl)oxy-2-hydroxy-3,6-dimethyl-benzoate
  • methyl 4-(3-formyl-2,4-dihydroxy-6-methylbenzoyl)oxy-2-hydroxy-3,6-dimethylbenzoate
  • parmelin
  • parmelin acid
  • sdccgmls-0066426.p001
  • usnarin
  • usnarin acid
CAS Number(s)
  • 479-20-9
InChIKey YLOYKYXNDHOHHT-UHFFFAOYSA-N
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