(8R,9S,10R,13S,14S,17R)-10,13-dimethyl-17-oxidanyl-17-(2-phenylazanyl-1,3-thiazol-4-yl)-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-3-one

Systemtic Name: (8R,9S,10R,13S,14S,17R)-10,13-dimethyl-17-oxidanyl-17-(2-phenylazanyl-1,3-thiazol-4-yl)-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-3-one Openeye Name: (8R,9S,10R,13S,14S,17R)-17-(2-anilinothiazol-4-yl)-17-hydroxy-10,13-dimethyl-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-3-one CAS Name: (8R,9S,10R,13S,14S,17R)-17-(2-anilino-4-thiazolyl)-17-hydroxy-10,13-dimethyl-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-3-one IUPAC Name: (8R,9S,10R,13S,14S,17R)-17-(2-anilino-1,3-thiazol-4-yl)-17-hydroxy-10,13-dimethyl-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-3-one Traditional Name: (8R,9S,10R,13S,14S,17R)-17-(2-anilinothiazol-4-yl)-17-hydroxy-10,13-dimethyl-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-3-one Formula: C28H34N2O2S MolecularWeight: 462.64676

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Descriptors Computed from Structure

Canonical SMILES:

CC12CCC(=O)C=C1CCC3C2CCC4(C3CCC4(C5=CSC(=N5)NC6=CC=CC=C6)O)C

Isomeric SMILES

C[C@]12CCC(=O)C=C1CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CC[C@@]4(C5=CSC(=N5)NC6=CC=CC=C6)O)C

InChI

InChI=1S/C28H34N2O2S/c1-26-13-10-20(31)16-18(26)8-9-21-22(26)11-14-27(2)23(21)12-15-28(27,32)24-17-33-25(30-24)29-19-6-4-3-5-7-19/h3-7,16-17,21-23,32H,8-15H2,1-2H3,(H,29,30)/t21-,22+,23+,26+,27+,28+/m1/s1