40469-85-0 Purity
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Specification
The molecular formula of 4-Demethylpodophyllotoxin is C21H20O8.
The molecular weight of 4-Demethylpodophyllotoxin is 400.4 g/mol.
Some synonyms of 4-Demethylpodophyllotoxin include 4'-Demethylpodophyllotoxin and 4'-O-demethylpodophyllotoxin.
The IUPAC name of 4-Demethylpodophyllotoxin is (5R,5aR,8aR,9R)-9-hydroxy-5-(4-hydroxy-3,5-dimethoxyphenyl)-5,5a,8a,9-tetrahydrofuro[3',4':6,7]naphtho[2,3-d][1,3]dioxol-6(8H)-one.
4-Demethylpodophyllotoxin can be found in Diphylleia grayi, Podophyllum peltatum, and other organisms with available data.
The InChIKey of 4-Demethylpodophyllotoxin is YVCVYCSAAZQOJI-BTINSWFASA-N.
The Canonical SMILES of 4-Demethylpodophyllotoxin is COC1=CC(=CC(=C1O)OC)C2C3C(COC3=O)C(C4=CC5=C(C=C24)OCO5)O.
The CAS number of 4-Demethylpodophyllotoxin is 40505-27-9.
4-Demethylpodophyllotoxin has 2 hydrogen bond donor counts.
The topological polar surface area of 4-Demethylpodophyllotoxin is 104 Ų.