10,13-dimethyl-16-methylidene-17-oxidanyl-3-oxidanylidene-1,2,6,7,8,9,11,12,14,15-decahydrocyclopenta[a]phenanthrene-17-carbonitrile

Systemtic Name: 10,13-dimethyl-16-methylidene-17-oxidanyl-3-oxidanylidene-1,2,6,7,8,9,11,12,14,15-decahydrocyclopenta[a]phenanthrene-17-carbonitrile Openeye Name: 17-hydroxy-10,13-dimethyl-16-methylene-3-oxo-1,2,6,7,8,9,11,12,14,15-decahydrocyclopenta[a]phenanthrene-17-carbonitrile CAS Name: 17-hydroxy-10,13-dimethyl-16-methylene-3-oxo-1,2,6,7,8,9,11,12,14,15-decahydrocyclopenta[a]phenanthrene-17-carbonitrile IUPAC Name: 17-hydroxy-10,13-dimethyl-16-methylidene-3-oxo-1,2,6,7,8,9,11,12,14,15-decahydrocyclopenta[a]phenanthrene-17-carbonitrile Traditional Name: 17-hydroxy-3-keto-10,13-dimethyl-16-methylene-1,2,6,7,8,9,11,12,14,15-decahydrocyclopenta[a]phenanthrene-17-carbonitrile Formula: C21H27NO2 MolecularWeight: 325.44458

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Descriptors Computed from Structure

Canonical SMILES:

CC12CCC(=O)C=C1CCC3C2CCC4(C3CC(=C)C4(C#N)O)C

Isomeric SMILES

CC12CCC(=O)C=C1CCC3C2CCC4(C3CC(=C)C4(C#N)O)C

InChI

InChI=1S/C21H27NO2/c1-13-10-18-16-5-4-14-11-15(23)6-8-19(14,2)17(16)7-9-20(18,3)21(13,24)12-22/h11,16-18,24H,1,4-10H2,2-3H3