Lecanoric acid
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Lecanoric acid
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CAS No:
480-56-8
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Formula:
C16H14O7
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Chemical Name:
Lecanoric acid
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Synonyms:
Benzoic acid,2,4-dihydroxy-6-methyl-,4-carboxy-3-hydroxy-5-methylphenyl ester;Lecanoric acid;β-Resorcylic acid,6-methyl-,4-(6-methyl-β-resorcylate);NSC 249981
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CAS No:
Description
O-orsellinate depside is a benzoate ester. It derives from an o-orsellinic acid. It is a conjugate acid of an o-orsellinate depsidate(1-).
Characteristics
124
4.39
colorless crystals
1.5±0.1 g/cm3
176 °C @ Solvent: Acetone, Water
557.1±50.0 °C at 760 mmHg
208.3±23.6 °C
1.675
3.03E-13mmHg at 25°C
Toxicity
| Name | Type of Test | Exposure Route | Species Observed | Dose/Duration | Toxic Effects | Reference |
|---|---|---|---|---|---|---|
| ACUTE TOXICITY DATA | LD - Lethal dose | Intravenous | Rodent - mouse | >200 mg/kg | Details of toxic effects not reported other than lethal dose value-- | Journal of Antibiotics. (Japan Antibiotics Research Assoc., 2-20-8 Kamiosaki, Shinagawa-ku, Tokyo, 141, Japan) V.2-5, 1948-52; V.21- 1968- Volume(issue)/page/year: 27,587,1974 |
Lecanoric acid Use and Manufacturing
antioxidant, free radical scavenger
Polyketides [PK] -> Aromatic polyketides [PK13] -> Depsides and depsidones [PK1308]
Computed Properties
Molecular Weight:318.28
XLogP3:3.6
Hydrogen Bond Donor Count:4
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:4
Exact Mass:318.07395278
Monoisotopic Mass:318.07395278
Topological Polar Surface Area:124
Heavy Atom Count:23
Complexity:452
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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