(8S,9S,11S,13S,14S,17R)-17-[(E)-2-iodanylethenyl]-3,11-dimethoxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-ol

Systemtic Name: (8S,9S,11S,13S,14S,17R)-17-[(E)-2-iodanylethenyl]-3,11-dimethoxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-ol Openeye Name: (8S,9S,11S,13S,14S,17R)-17-[(E)-2-iodanylvinyl]-3,11-dimethoxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-ol CAS Name: (8S,9S,11S,13S,14S,17R)-17-[(E)-2-iodanylethenyl]-3,11-dimethoxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-ol IUPAC Name: (8S,9S,11S,13S,14S,17R)-17-[(E)-2-iodanylethenyl]-3,11-dimethoxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-ol Traditional Name: (8S,9S,11S,13S,14S,17R)-17-[(E)-2-iodanylvinyl]-3,11-dimethoxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-ol Formula: C22H29IO3 MolecularWeight: 466.368484

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Descriptors Computed from Structure

Canonical SMILES:

CC12CC(C3C(C1CCC2(C=CI)O)CCC4=C3C=CC(=C4)OC)OC

Isomeric SMILES

C[C@]12C[C@@H]([C@H]3[C@H]([C@@H]1CC[C@]2(/C=C/[125I])O)CCC4=C3C=CC(=C4)OC)OC

InChI

InChI=1S/C22H29IO3/c1-21-13-19(26-3)20-16-7-5-15(25-2)12-14(16)4-6-17(20)18(21)8-9-22(21,24)10-11-23/h5,7,10-12,17-20,24H,4,6,8-9,13H2,1-3H3/b11-10+/t17-,18-,19-,20+,21-,22+/m0/s1/i23-2