(3S,8R,9S,10R,13S,14S,17R)-10,13-dimethyl-17-[2-[(2-methylphenyl)amino]-1,3-thiazol-4-yl]-1,2,3,6,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthrene-3,17-diol

Systemtic Name: (3S,8R,9S,10R,13S,14S,17R)-10,13-dimethyl-17-[2-[(2-methylphenyl)amino]-1,3-thiazol-4-yl]-1,2,3,6,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthrene-3,17-diol Openeye Name: (3S,8R,9S,10R,13S,14S,17R)-10,13-dimethyl-17-[2-(2-methylanilino)thiazol-4-yl]-1,2,3,6,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthrene-3,17-diol CAS Name: (3S,8R,9S,10R,13S,14S,17R)-10,13-dimethyl-17-[2-(2-methylanilino)-4-thiazolyl]-1,2,3,6,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthrene-3,17-diol IUPAC Name: (3S,8R,9S,10R,13S,14S,17R)-10,13-dimethyl-17-[2-(2-methylanilino)-1,3-thiazol-4-yl]-1,2,3,6,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthrene-3,17-diol Traditional Name: (3S,8R,9S,10R,13S,14S,17R)-10,13-dimethyl-17-[2-(o-toluidino)thiazol-4-yl]-1,2,3,6,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthrene-3,17-diol Formula: C29H38N2O2S MolecularWeight: 478.68922

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1NC2=NC(=CS2)C3(CCC4C3(CCC5C4CCC6=CC(CCC56C)O)C)O

Isomeric SMILES

CC1=CC=CC=C1NC2=NC(=CS2)[C@]3(CC[C@@H]4[C@@]3(CC[C@H]5[C@H]4CCC6=C[C@H](CC[C@]56C)O)C)O

InChI

InChI=1S/C29H38N2O2S/c1-18-6-4-5-7-24(18)30-26-31-25(17-34-26)29(33)15-12-23-21-9-8-19-16-20(32)10-13-27(19,2)22(21)11-14-28(23,29)3/h4-7,16-17,20-23,32-33H,8-15H2,1-3H3,(H,30,31)/t20-,21+,22-,23-,27-,28-,29-/m0/s1