65896-16-4 Purity
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Specification
The molecular formula of 5E-7-oxozeaenol is C19H22O7.
The molecular weight of 5E-7-oxozeaenol is 362.4 g/mol.
The IUPAC name of 5E-7-oxozeaenol is (4S,6E,9S,10S,12E)-9,10,18-trihydroxy-16-methoxy-4-methyl-3-oxabicyclo[12.4.0]octadeca-1(14),6,12,15,17-pentaene-2,8-dione.
The InChI code of 5E-7-oxozeaenol is InChI=1S/C19H22O7/c1-11-5-3-7-14(20)18(23)15(21)8-4-6-12-9-13(25-2)10-16(22)17(12)19(24)26-11/h3-4,6-7,9-11,15,18,21-23H,5,8H2,1-2H3/b6-4+,7-3+/t11-,15-,18+/m0/s1.
The canonical SMILES of 5E-7-oxozeaenol is CC1CC=CC(=O)C(C(CC=CC2=C(C(=CC(=C2)OC)O)C(=O)O1)O)O.
The CAS number of 5E-7-oxozeaenol is 253863-19-3.
The EC number of 5E-7-oxozeaenol is 683-694-3.
The ChEMBL ID of 5E-7-oxozeaenol is CHEMBL1801950.
The XLogP3-AA value of 5E-7-oxozeaenol is 2.6.
The hydrogen bond acceptor count of 5E-7-oxozeaenol is 7.