(7R,8R,9S,13S,14S,17R)-17-ethynyl-13-methyl-3,17-bis(oxidanyl)-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthrene-7-carbonitrile

Systemtic Name: (7R,8R,9S,13S,14S,17R)-17-ethynyl-13-methyl-3,17-bis(oxidanyl)-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthrene-7-carbonitrile Openeye Name: (7R,8R,9S,13S,14S,17R)-17-ethynyl-3,17-dihydroxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthrene-7-carbonitrile CAS Name: (7R,8R,9S,13S,14S,17R)-17-ethynyl-3,17-dihydroxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthrene-7-carbonitrile IUPAC Name: (7R,8R,9S,13S,14S,17R)-17-ethynyl-3,17-dihydroxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthrene-7-carbonitrile Traditional Name: (7R,8R,9S,13S,14S,17R)-17-ethynyl-3,17-dihydroxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthrene-7-carbonitrile Formula: C21H23NO2 MolecularWeight: 321.41282

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Descriptors Computed from Structure

Canonical SMILES:

CC12CCC3C(C1CCC2(C#C)O)C(CC4=C3C=CC(=C4)O)C#N

Isomeric SMILES

C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@]2(C#C)O)[C@@H](CC4=C3C=CC(=C4)O)C#N

InChI

InChI=1S/C21H23NO2/c1-3-21(24)9-7-18-19-14(12-22)10-13-11-15(23)4-5-16(13)17(19)6-8-20(18,21)2/h1,4-5,11,14,17-19,23-24H,6-10H2,2H3/t14-,17+,18-,19+,20-,21-/m0/s1