(7R,8R,9S,10R,13S,14S,17S)-7-ethenyl-13-ethyl-3-oxidanylidene-2,6,7,8,9,10,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-17-carbonitrile

Systemtic Name: (7R,8R,9S,10R,13S,14S,17S)-7-ethenyl-13-ethyl-3-oxidanylidene-2,6,7,8,9,10,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-17-carbonitrile Openeye Name: (7R,8R,9S,10R,13S,14S,17S)-13-ethyl-3-oxo-7-vinyl-2,6,7,8,9,10,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-17-carbonitrile CAS Name: (7R,8R,9S,10R,13S,14S,17S)-7-ethenyl-13-ethyl-3-oxo-2,6,7,8,9,10,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-17-carbonitrile IUPAC Name: (7R,8R,9S,10R,13S,14S,17S)-7-ethenyl-13-ethyl-3-oxo-2,6,7,8,9,10,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-17-carbonitrile Traditional Name: (7R,8R,9S,10R,13S,14S,17S)-13-ethyl-3-keto-7-vinyl-2,6,7,8,9,10,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-17-carbonitrile Formula: C22H29NO MolecularWeight: 323.47176

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Descriptors Computed from Structure

Canonical SMILES:

CCC12CCC3C4CCC(=O)C=C4CC(C3C1CCC2C#N)C=C

Isomeric SMILES

CC[C@]12CC[C@@H]3[C@H]4CCC(=O)C=C4C[C@@H]([C@H]3[C@@H]1CC[C@@H]2C#N)C=C

InChI

InChI=1S/C22H29NO/c1-3-14-11-15-12-17(24)6-7-18(15)19-9-10-22(4-2)16(13-23)5-8-20(22)21(14)19/h3,12,14,16,18-21H,1,4-11H2,2H3/t14-,16+,18-,19+,20-,21+,22+/m0/s1