(13S)-13-methyl-3-oxidanyl-7,17-bis(oxidanylidene)-6,8,9,11,12,14,15,16-octahydrocyclopenta[a]phenanthrene-2-carbonitrile

Systemtic Name: (13S)-13-methyl-3-oxidanyl-7,17-bis(oxidanylidene)-6,8,9,11,12,14,15,16-octahydrocyclopenta[a]phenanthrene-2-carbonitrile Openeye Name: (13S)-3-hydroxy-13-methyl-7,17-dioxo-6,8,9,11,12,14,15,16-octahydrocyclopenta[a]phenanthrene-2-carbonitrile CAS Name: (13S)-3-hydroxy-13-methyl-7,17-dioxo-6,8,9,11,12,14,15,16-octahydrocyclopenta[a]phenanthrene-2-carbonitrile IUPAC Name: (13S)-3-hydroxy-13-methyl-7,17-dioxo-6,8,9,11,12,14,15,16-octahydrocyclopenta[a]phenanthrene-2-carbonitrile Traditional Name: (13S)-3-hydroxy-7,17-diketo-13-methyl-6,8,9,11,12,14,15,16-octahydrocyclopenta[a]phenanthrene-2-carbonitrile Formula: C19H19NO3 MolecularWeight: 309.35906

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C[C@]12CCC3C(C1CCC2=O)C(=O)CC4=C3C=C(C(=C4)O)C#N

InChI

InChI=1S/C19H19NO3/c1-19-5-4-12-13-6-11(9-20)15(21)7-10(13)8-16(22)18(12)14(19)2-3-17(19)23/h6-7,12,14,18,21H,2-5,8H2,1H3/t12?,14?,18?,19-/m0/s1