(7R,13S,17R)-4-fluoranyl-17-[(E)-2-iodanylethenyl]-13-methyl-3,17-bis(oxidanyl)-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthrene-7-carbonitrile

Systemtic Name: (7R,13S,17R)-4-fluoranyl-17-[(E)-2-iodanylethenyl]-13-methyl-3,17-bis(oxidanyl)-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthrene-7-carbonitrile Openeye Name: (7R,13S,17R)-4-fluoro-3,17-dihydroxy-17-[(E)-2-iodovinyl]-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthrene-7-carbonitrile CAS Name: (7R,13S,17R)-4-fluoro-3,17-dihydroxy-17-[(E)-2-iodoethenyl]-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthrene-7-carbonitrile IUPAC Name: (7R,13S,17R)-4-fluoro-3,17-dihydroxy-17-[(E)-2-iodoethenyl]-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthrene-7-carbonitrile Traditional Name: (7R,13S,17R)-4-fluoro-3,17-dihydroxy-17-[(E)-2-iodovinyl]-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthrene-7-carbonitrile Formula: C21H23FINO2 MolecularWeight: 467.315693

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC12CCC3C(C1CCC2(C=CI)O)C(CC4=C3C=CC(=C4F)O)C#N

Isomeric SMILES

C[C@]12CCC3C(C1CC[C@]2(/C=C/I)O)[C@@H](CC4=C3C=CC(=C4F)O)C#N

InChI

InChI=1S/C21H23FINO2/c1-20-6-4-14-13-2-3-17(25)19(22)15(13)10-12(11-24)18(14)16(20)5-7-21(20,26)8-9-23/h2-3,8-9,12,14,16,18,25-26H,4-7,10H2,1H3/b9-8+/t12-,14?,16?,18?,20-,21+/m0/s1