2-[9-methyl-3,16,17-tris(oxidanyl)-7,8,11,12,13,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl]ethanenitrile

Systemtic Name: 2-[9-methyl-3,16,17-tris(oxidanyl)-7,8,11,12,13,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl]ethanenitrile Openeye Name: 2-(3,16,17-trihydroxy-9-methyl-7,8,11,12,13,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl)acetonitrile CAS Name: 2-(3,16,17-trihydroxy-9-methyl-7,8,11,12,13,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl)acetonitrile IUPAC Name: 2-(3,16,17-trihydroxy-9-methyl-7,8,11,12,13,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl)acetonitrile Traditional Name: 2-(3,16,17-trihydroxy-9-methyl-7,8,11,12,13,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl)acetonitrile Formula: C20H25NO3 MolecularWeight: 327.4174

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Descriptors Computed from Structure

Canonical SMILES:

CC12CCC3C(C1CCC4=C2C=CC(=C4)O)CC(C3(CC#N)O)O

Isomeric SMILES

CC12CCC3C(C1CCC4=C2C=CC(=C4)O)CC(C3(CC#N)O)O

InChI

InChI=1S/C20H25NO3/c1-19-7-6-17-14(11-18(23)20(17,24)8-9-21)16(19)4-2-12-10-13(22)3-5-15(12)19/h3,5,10,14,16-18,22-24H,2,4,6-8,11H2,1H3