68-42-8 Purity
95%
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Specification
PubChem CID 6291.
The chemical formula for mestranol is C21H26O2.
The molecular weight of mestranol is 310.4 g/mol.
The IUPAC Name of mestranol is (8R,9S,13S,14S,17R)-17-ethynyl-3-methoxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-ol.
The InChIKey of mestranol is IMSSROKUHAOUJS-MJCUULBUSA-N.
The canonical SMILES of mestranol is CC12CCC3C(C1CCC2(C#C)O)CCC4=C3C=CC(=C4)OC.
The CAS number of mestranol is 72-33-3.
The European Community (EC) number of mestranol is 200-777-8.
The ChEMBL ID of mestranol is CHEMBL1201151.
The XLogP3 value of mestranol is 4.