10,13-dimethyl-6-methylidene-17-oxidanyl-3-oxidanylidene-1,2,7,8,12,14,15,16-octahydrocyclopenta[a]phenanthrene-17-carbonitrile

Systemtic Name: 10,13-dimethyl-6-methylidene-17-oxidanyl-3-oxidanylidene-1,2,7,8,12,14,15,16-octahydrocyclopenta[a]phenanthrene-17-carbonitrile Openeye Name: 17-hydroxy-10,13-dimethyl-6-methylene-3-oxo-1,2,7,8,12,14,15,16-octahydrocyclopenta[a]phenanthrene-17-carbonitrile CAS Name: 17-hydroxy-10,13-dimethyl-6-methylene-3-oxo-1,2,7,8,12,14,15,16-octahydrocyclopenta[a]phenanthrene-17-carbonitrile IUPAC Name: 17-hydroxy-10,13-dimethyl-6-methylidene-3-oxo-1,2,7,8,12,14,15,16-octahydrocyclopenta[a]phenanthrene-17-carbonitrile Traditional Name: 17-hydroxy-3-keto-10,13-dimethyl-6-methylene-1,2,7,8,12,14,15,16-octahydrocyclopenta[a]phenanthrene-17-carbonitrile Formula: C21H25NO2 MolecularWeight: 323.4287

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Descriptors Computed from Structure

Canonical SMILES:

CC12CCC(=O)C=C1C(=C)CC3C2=CCC4(C3CCC4(C#N)O)C

Isomeric SMILES

CC12CCC(=O)C=C1C(=C)CC3C2=CCC4(C3CCC4(C#N)O)C

InChI

InChI=1S/C21H25NO2/c1-13-10-15-16(19(2)7-4-14(23)11-18(13)19)5-8-20(3)17(15)6-9-21(20,24)12-22/h5,11,15,17,24H,1,4,6-10H2,2-3H3