667-65-2 Purity
95%
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Specification
PubChem CID 6231.
The molecular formula is C20H26O2.
The molecular weight is 298.4 g/mol.
The synonyms are norethynodrel, Noretynodrel, 68-23-5, Norethinodrel, Enidrel, and more.
The IUPAC name is (8R,9S,13S,14S,17R)-17-ethynyl-17-hydroxy-13-methyl-1,2,4,6,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-3-one.
The InChI is InChI=1S/C20H26O2/c1-3-20(22)11-9-18-17-6-4-13-12-14(21)5-7-15(13)16(17)8-10-19(18,20)2/h1,16-18,22H,4-12H2,2H3/t16-,17-,18+,19+,20+/m1/s1.
The InChIKey is ICTXHFFSOAJUMG-SLHNCBLASA-N.
The canonical SMILES is CC12CCC3C(C1CCC2(C#C)O)CCC4=C3CCC(=O)C4.
The CAS number is 68-23-5.
The ChEMBL ID is CHEMBL1387.