(8R,9S,13S,14S,17S)-17-[2-[4-(aminomethyl)phenyl]ethynyl]-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthrene-3,17-diol

Systemtic Name: (8R,9S,13S,14S,17S)-17-[2-[4-(aminomethyl)phenyl]ethynyl]-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthrene-3,17-diol Openeye Name: (8R,9S,13S,14S,17S)-17-[2-[4-(aminomethyl)phenyl]ethynyl]-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthrene-3,17-diol CAS Name: (8R,9S,13S,14S,17S)-17-[2-[4-(aminomethyl)phenyl]ethynyl]-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthrene-3,17-diol IUPAC Name: (8R,9S,13S,14S,17S)-17-[2-[4-(aminomethyl)phenyl]ethynyl]-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthrene-3,17-diol Traditional Name: (8R,9S,13S,14S,17S)-17-[2-[4-(aminomethyl)phenyl]ethynyl]-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthrene-3,17-diol Formula: C27H31NO2 MolecularWeight: 401.54054

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Descriptors Computed from Structure

Canonical SMILES:

CC12CCC3C(C1CCC2(C#CC4=CC=C(C=C4)CN)O)CCC5=C3C=CC(=C5)O

Isomeric SMILES

C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@]2(C#CC4=CC=C(C=C4)CN)O)CCC5=C3C=CC(=C5)O

InChI

InChI=1S/C27H31NO2/c1-26-13-11-23-22-9-7-21(29)16-20(22)6-8-24(23)25(26)12-15-27(26,30)14-10-18-2-4-19(17-28)5-3-18/h2-5,7,9,16,23-25,29-30H,6,8,11-13,15,17,28H2,1H3/t23-,24-,25+,26+,27+/m1/s1