478183-68-5 Purity
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Specification
The molecular formula of atranorin is C19H18O8.
The molecular weight of atranorin is 374.3 g/mol.
The IUPAC name of atranorin is (3-hydroxy-4-methoxycarbonyl-2,5-dimethylphenyl) 3-formyl-2,4-dihydroxy-6-methylbenzoate.
The InChI of atranorin is InChI=1S/C19H18O8/c1-8-5-12(21)11(7-20)17(23)15(8)19(25)27-13-6-9(2)14(18(24)26-4)16(22)10(13)3/h5-7,21-23H,1-4H3.
The InChIKey of atranorin is YLOYKYXNDHOHHT-UHFFFAOYSA-N.
The Canonical SMILES of atranorin is CC1=CC(=C(C(=C1C(=O)OC2=C(C(=C(C(=C2)C)C(=O)OC)O)C)O)C=O)O.
The CAS number of atranorin is 479-20-9.
The EC number of atranorin is 207-527-7.
The ChEMBL ID of atranorin is CHEMBL173395.
The XLogP3-AA value of atranorin is 4.3.