(3R,5R,8R,9R,10S,13S,14S,17S)-N-[(1S)-1-(4-cyanophenyl)ethyl]-3-hydroxy-N,13-dimethyl-3-(trifluoromethyl)-2,4,5,6,7,8,9,10,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-17-carboxamide;(3R,5R,8R,9R,10S,13S,14S,17S)-N-[(1R)-1-(4-cyanophenyl)ethyl]-3-hydroxy-N,13-dimethyl-3-(trifluoromethyl)-2,4,5,6,7,8,9,10,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-17-carboxamide;(3R,5R,8R,9R,10S,13S,14S,17S)-N-[(1R)-1-(4-cyanophenyl)ethyl]-3-methoxy-N,13-dimethyl-3-(trifluoromethyl)-2,4,5,6,7,8,9,10,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-17-carboxamide;(3R,5R,8R,9R,10S,13S,14S,17S)-N-[(1S)-1-(4-cyanophenyl)ethyl]-3-methoxy-N,3,13-trimethyl-2,4,5,6,7,8,9,10,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-17-carboxamide;4-[(2R)-4-[(3R,5R,8R,9R,10S,13S,14S,17S)-3-hydroxy-3,13-dimethyl-2,4,5,6,7,8,9,10,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]-4-oxobutan-2-yl]benzonitrile;4-[(2S)-4-[(3R,5R,8R,9R,10S,13S,14S,17S)-3-hydroxy-13-methyl-3-(trifluoromethyl)-2,4,5,6,7,8,9,10,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]-4-oxobutan-2-yl]benzonitrile

C182H242F12N10O12 — CID 165073211

IUPAC(3R,5R,8R,9R,10S,13S,14S,17S)-N-[(1S)-1-(4-cyanophenyl)ethyl]-3-hydroxy-N,13-dimethyl-3-(trifluoromethyl)-2,4,5,6,7,8,9,10,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-17-carboxamide;(3R,5R,8R,9R,10S,13S,14S,17S)-N-[(1R)-1-(4-cyanophenyl)ethyl]-3-hydroxy-N,13-dimethyl-3-(trifluoromethyl)-2,4,5,6,7,8,9,10,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-17-carboxamide;(3R,5R,8R,9R,10S,13S,14S,17S)-N-[(1R)-1-(4-cyanophenyl)ethyl]-3-methoxy-N,13-dimethyl-3-(trifluoromethyl)-2,4,5,6,7,8,9,10,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-17-carboxamide;(3R,5R,8R,9R,10S,13S,14S,17S)-N-[(1S)-1-(4-cyanophenyl)ethyl]-3-methoxy-N,3,13-trimethyl-2,4,5,6,7,8,9,10,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-17-carboxamide;4-[(2R)-4-[(3R,5R,8R,9R,10S,13S,14S,17S)-3-hydroxy-3,13-dimethyl-2,4,5,6,7,8,9,10,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]-4-oxobutan-2-yl]benzonitrile;4-[(2S)-4-[(3R,5R,8R,9R,10S,13S,14S,17S)-3-hydroxy-13-methyl-3-(trifluoromethyl)-2,4,5,6,7,8,9,10,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]-4-oxobutan-2-yl]benzonitrile
SMILESCO[C@]1(C(F)(F)F)CC[C@H]2[C@H](CC[C@@H]3[C@@H]2CC[C@]2(C)[C@@H](C(=O)N(C)[C@H](C)c4ccc(C#N)cc4)CC[C@@H]32)C1.CO[C@]1(C)CC[C@H]2[C@H](CC[C@@H]3[C@@H]2CC[C@]2(C)[C@@H](C(=O)N(C)[C@@H](C)c4ccc(C#N)cc4)CC[C@@H]32)C1.C[C@@H](CC(=O)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@@](O)(C(F)(F)F)CC[C@@H]4[C@H]3CC[C@]12C)c1ccc(C#N)cc1.C[C@@H](c1ccc(C#N)cc1)N(C)C(=O)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@@](O)(C(F)(F)F)CC[C@@H]4[C@H]3CC[C@]12C.C[C@H](CC(=O)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@](C)(O)CC[C@@H]4[C@H]3CC[C@]12C)c1ccc(C#N)cc1.C[C@H](c1ccc(C#N)cc1)N(C)C(=O)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@@](O)(C(F)(F)F)CC[C@@H]4[C@H]3CC[C@]12C
InChIInChI=1S/C31H41F3N2O2.C31H44N2O2.2C30H39F3N2O2.C30H38F3NO2.C30H41NO2/c1-19(21-7-5-20(18-35)6-8-21)36(3)28(37)27-12-11-26-25-10-9-22-17-30(38-4,31(32,33)34)16-14-23(22)24(25)13-15-29(26,27)2;1-20(22-8-6-21(19-32)7-9-22)33(4)29(34)28-13-12-27-26-11-10-23-18-30(2,35-5)16-14-24(23)25(26)15-17-31(27,28)3;2*1-18(20-6-4-19(17-34)5-7-20)35(3)27(36)26-11-10-25-24-9-8-21-16-29(37,30(31,32)33)15-13-22(21)23(24)12-14-28(25,26)2;1-18(20-5-3-19(17-34)4-6-20)15-27(35)26-10-9-25-24-8-7-21-16-29(36,30(31,32)33)14-12-22(21)23(24)11-13-28(25,26)2;1-19(21-6-4-20(18-31)5-7-21)16-28(32)27-11-10-26-25-9-8-22-17-29(2,33)14-12-23(22)24(25)13-15-30(26,27)3/h5-8,19,22-27H,9-17H2,1-4H3;6-9,20,23-28H,10-18H2,1-5H3;2*4-7,18,21-26,37H,8-16H2,1-3H3;3-6,18,21-26,36H,7-16H2,1-2H3;4-7,19,22-27,33H,8-17H2,1-3H3/t19-,22-,23+,24-,25-,26+,27-,29+,30-;20-,23+,24-,25+,26+,27-,28+,30+,31-;18-,21+,22-,23+,24+,25-,26+,28-,29+;18-,21-,22+,23-,24-,25+,26-,28+,29-;18-,21+,22-,23+,24+,25-,26+,28-,29+;19-,22-,23+,24-,25-,26+,27-,29-,30+/m100101/s1
InChIKeyTWJDMGRXABZHNI-XRIPOZMLSA-N
MW2989.97 g/mol
LogP41.15
Rot. Bonds22

About (3R,5R,8R,9R,10S,13S,14S,17S)-N-[(1S)-1-(4-cyanophenyl)ethyl]-3-hydroxy-N,13-dimethyl-3-(trifluoromethyl)-2,4,5,6,7,8,9,10,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-17-carboxamide;(3R,5R,8R,9R,10S,13S,14S,17S)-N-[(1R)-1-(4-cyanophenyl)ethyl]-3-hydroxy-N,13-dimethyl-3-(trifluoromethyl)-2,4,5,6,7,8,9,10,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-17-carboxamide;(3R,5R,8R,9R,10S,13S,14S,17S)-N-[(1R)-1-(4-cyanophenyl)ethyl]-3-methoxy-N,13-dimethyl-3-(trifluoromethyl)-2,4,5,6,7,8,9,10,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-17-carboxamide;(3R,5R,8R,9R,10S,13S,14S,17S)-N-[(1S)-1-(4-cyanophenyl)ethyl]-3-methoxy-N,3,13-trimethyl-2,4,5,6,7,8,9,10,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-17-carboxamide;4-[(2R)-4-[(3R,5R,8R,9R,10S,13S,14S,17S)-3-hydroxy-3,13-dimethyl-2,4,5,6,7,8,9,10,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]-4-oxobutan-2-yl]benzonitrile;4-[(2S)-4-[(3R,5R,8R,9R,10S,13S,14S,17S)-3-hydroxy-13-methyl-3-(trifluoromethyl)-2,4,5,6,7,8,9,10,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]-4-oxobutan-2-yl]benzonitrile

(3R,5R,8R,9R,10S,13S,14S,17S)-N-[(1S)-1-(4-cyanophenyl)ethyl]-3-hydroxy-N,13-dimethyl-3-(trifluoromethyl)-2,4,5,6,7,8,9,10,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-17-carboxamide;(3R,5R,8R,9R,10S,13S,14S,17S)-N-[(1R)-1-(4-cyanophenyl)ethyl]-3-hydroxy-N,13-dimethyl-3-(trifluoromethyl)-2,4,5,6,7,8,9,10,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-17-carboxamide;(3R,5R,8R,9R,10S,13S,14S,17S)-N-[(1R)-1-(4-cyanophenyl)ethyl]-3-methoxy-N,13-dimethyl-3-(trifluoromethyl)-2,4,5,6,7,8,9,10,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-17-carboxamide;(3R,5R,8R,9R,10S,13S,14S,17S)-N-[(1S)-1-(4-cyanophenyl)ethyl]-3-methoxy-N,3,13-trimethyl-2,4,5,6,7,8,9,10,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-17-carboxamide;4-[(2R)-4-[(3R,5R,8R,9R,10S,13S,14S,17S)-3-hydroxy-3,13-dimethyl-2,4,5,6,7,8,9,10,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]-4-oxobutan-2-yl]benzonitrile;4-[(2S)-4-[(3R,5R,8R,9R,10S,13S,14S,17S)-3-hydroxy-13-methyl-3-(trifluoromethyl)-2,4,5,6,7,8,9,10,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]-4-oxobutan-2-yl]benzonitrile (PubChem CID 165073211) has the molecular formula C182H242F12N10O12 and a molecular weight of 2989.97 g/mol. Its IUPAC name is (3R,5R,8R,9R,10S,13S,14S,17S)-N-[(1S)-1-(4-cyanophenyl)ethyl]-3-hydroxy-N,13-dimethyl-3-(trifluoromethyl)-2,4,5,6,7,8,9,10,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-17-carboxamide;(3R,5R,8R,9R,10S,13S,14S,17S)-N-[(1R)-1-(4-cyanophenyl)ethyl]-3-hydroxy-N,13-dimethyl-3-(trifluoromethyl)-2,4,5,6,7,8,9,10,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-17-carboxamide;(3R,5R,8R,9R,10S,13S,14S,17S)-N-[(1R)-1-(4-cyanophenyl)ethyl]-3-methoxy-N,13-dimethyl-3-(trifluoromethyl)-2,4,5,6,7,8,9,10,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-17-carboxamide;(3R,5R,8R,9R,10S,13S,14S,17S)-N-[(1S)-1-(4-cyanophenyl)ethyl]-3-methoxy-N,3,13-trimethyl-2,4,5,6,7,8,9,10,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-17-carboxamide;4-[(2R)-4-[(3R,5R,8R,9R,10S,13S,14S,17S)-3-hydroxy-3,13-dimethyl-2,4,5,6,7,8,9,10,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]-4-oxobutan-2-yl]benzonitrile;4-[(2S)-4-[(3R,5R,8R,9R,10S,13S,14S,17S)-3-hydroxy-13-methyl-3-(trifluoromethyl)-2,4,5,6,7,8,9,10,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]-4-oxobutan-2-yl]benzonitrile.

Molecular Properties

Compound Name(3R,5R,8R,9R,10S,13S,14S,17S)-N-[(1S)-1-(4-cyanophenyl)ethyl]-3-hydroxy-N,13-dimethyl-3-(trifluoromethyl)-2,4,5,6,7,8,9,10,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-17-carboxamide;(3R,5R,8R,9R,10S,13S,14S,17S)-N-[(1R)-1-(4-cyanophenyl)ethyl]-3-hydroxy-N,13-dimethyl-3-(trifluoromethyl)-2,4,5,6,7,8,9,10,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-17-carboxamide;(3R,5R,8R,9R,10S,13S,14S,17S)-N-[(1R)-1-(4-cyanophenyl)ethyl]-3-methoxy-N,13-dimethyl-3-(trifluoromethyl)-2,4,5,6,7,8,9,10,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-17-carboxamide;(3R,5R,8R,9R,10S,13S,14S,17S)-N-[(1S)-1-(4-cyanophenyl)ethyl]-3-methoxy-N,3,13-trimethyl-2,4,5,6,7,8,9,10,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-17-carboxamide;4-[(2R)-4-[(3R,5R,8R,9R,10S,13S,14S,17S)-3-hydroxy-3,13-dimethyl-2,4,5,6,7,8,9,10,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]-4-oxobutan-2-yl]benzonitrile;4-[(2S)-4-[(3R,5R,8R,9R,10S,13S,14S,17S)-3-hydroxy-13-methyl-3-(trifluoromethyl)-2,4,5,6,7,8,9,10,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]-4-oxobutan-2-yl]benzonitrile
PubChem CID165073211
Molecular FormulaC182H242F12N10O12
Molecular Weight2989.97 g/mol
Exact Mass2987.84
IUPAC Name(3R,5R,8R,9R,10S,13S,14S,17S)-N-[(1S)-1-(4-cyanophenyl)ethyl]-3-hydroxy-N,13-dimethyl-3-(trifluoromethyl)-2,4,5,6,7,8,9,10,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-17-carboxamide;(3R,5R,8R,9R,10S,13S,14S,17S)-N-[(1R)-1-(4-cyanophenyl)ethyl]-3-hydroxy-N,13-dimethyl-3-(trifluoromethyl)-2,4,5,6,7,8,9,10,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-17-carboxamide;(3R,5R,8R,9R,10S,13S,14S,17S)-N-[(1R)-1-(4-cyanophenyl)ethyl]-3-methoxy-N,13-dimethyl-3-(trifluoromethyl)-2,4,5,6,7,8,9,10,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-17-carboxamide;(3R,5R,8R,9R,10S,13S,14S,17S)-N-[(1S)-1-(4-cyanophenyl)ethyl]-3-methoxy-N,3,13-trimethyl-2,4,5,6,7,8,9,10,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-17-carboxamide;4-[(2R)-4-[(3R,5R,8R,9R,10S,13S,14S,17S)-3-hydroxy-3,13-dimethyl-2,4,5,6,7,8,9,10,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]-4-oxobutan-2-yl]benzonitrile;4-[(2S)-4-[(3R,5R,8R,9R,10S,13S,14S,17S)-3-hydroxy-13-methyl-3-(trifluoromethyl)-2,4,5,6,7,8,9,10,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]-4-oxobutan-2-yl]benzonitrile
SMILESCO[C@]1(C(F)(F)F)CC[C@H]2[C@H](CC[C@@H]3[C@@H]2CC[C@]2(C)[C@@H](C(=O)N(C)[C@H](C)c4ccc(C#N)cc4)CC[C@@H]32)C1.CO[C@]1(C)CC[C@H]2[C@H](CC[C@@H]3[C@@H]2CC[C@]2(C)[C@@H](C(=O)N(C)[C@@H](C)c4ccc(C#N)cc4)CC[C@@H]32)C1.C[C@@H](CC(=O)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@@](O)(C(F)(F)F)CC[C@@H]4[C@H]3CC[C@]12C)c1ccc(C#N)cc1.C[C@@H](c1ccc(C#N)cc1)N(C)C(=O)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@@](O)(C(F)(F)F)CC[C@@H]4[C@H]3CC[C@]12C.C[C@H](CC(=O)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@](C)(O)CC[C@@H]4[C@H]3CC[C@]12C)c1ccc(C#N)cc1.C[C@H](c1ccc(C#N)cc1)N(C)C(=O)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@@](O)(C(F)(F)F)CC[C@@H]4[C@H]3CC[C@]12C
InChIInChI=1S/C31H41F3N2O2.C31H44N2O2.2C30H39F3N2O2.C30H38F3NO2.C30H41NO2/c1-19(21-7-5-20(18-35)6-8-21)36(3)28(37)27-12-11-26-25-10-9-22-17-30(38-4,31(32,33)34)16-14-23(22)24(25)13-15-29(26,27)2;1-20(22-8-6-21(19-32)7-9-22)33(4)29(34)28-13-12-27-26-11-10-23-18-30(2,35-5)16-14-24(23)25(26)15-17-31(27,28)3;2*1-18(20-6-4-19(17-34)5-7-20)35(3)27(36)26-11-10-25-24-9-8-21-16-29(37,30(31,32)33)15-13-22(21)23(24)12-14-28(25,26)2;1-18(20-5-3-19(17-34)4-6-20)15-27(35)26-10-9-25-24-8-7-21-16-29(36,30(31,32)33)14-12-22(21)23(24)11-13-28(25,26)2;1-19(21-6-4-20(18-31)5-7-21)16-28(32)27-11-10-26-25-9-8-22-17-29(2,33)14-12-23(22)24(25)13-15-30(26,27)3/h5-8,19,22-27H,9-17H2,1-4H3;6-9,20,23-28H,10-18H2,1-5H3;2*4-7,18,21-26,37H,8-16H2,1-3H3;3-6,18,21-26,36H,7-16H2,1-2H3;4-7,19,22-27,33H,8-17H2,1-3H3/t19-,22-,23+,24-,25-,26+,27-,29+,30-;20-,23+,24-,25+,26+,27-,28+,30+,31-;18-,21+,22-,23+,24+,25-,26+,28-,29+;18-,21-,22+,23-,24-,25+,26-,28+,29-;18-,21+,22-,23+,24+,25-,26+,28-,29+;19-,22-,23+,24-,25-,26+,27-,29-,30+/m100101/s1
InChIKeyTWJDMGRXABZHNI-XRIPOZMLSA-N
XLogP41.15
TPSA357.50 Ų
H-Bond Donors4
H-Bond Acceptors18
Rotatable Bonds22
Heavy Atoms216
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002989.97
LogP ≤ 541.15
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1018

Analyze (3R,5R,8R,9R,10S,13S,14S,17S)-N-[(1S)-1-(4-cyanophenyl)ethyl]-3-hydroxy-N,13-dimethyl-3-(trifluoromethyl)-2,4,5,6,7,8,9,10,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-17-carboxamide;(3R,5R,8R,9R,10S,13S,14S,17S)-N-[(1R)-1-(4-cyanophenyl)ethyl]-3-hydroxy-N,13-dimethyl-3-(trifluoromethyl)-2,4,5,6,7,8,9,10,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-17-carboxamide;(3R,5R,8R,9R,10S,13S,14S,17S)-N-[(1R)-1-(4-cyanophenyl)ethyl]-3-methoxy-N,13-dimethyl-3-(trifluoromethyl)-2,4,5,6,7,8,9,10,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-17-carboxamide;(3R,5R,8R,9R,10S,13S,14S,17S)-N-[(1S)-1-(4-cyanophenyl)ethyl]-3-methoxy-N,3,13-trimethyl-2,4,5,6,7,8,9,10,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-17-carboxamide;4-[(2R)-4-[(3R,5R,8R,9R,10S,13S,14S,17S)-3-hydroxy-3,13-dimethyl-2,4,5,6,7,8,9,10,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]-4-oxobutan-2-yl]benzonitrile;4-[(2S)-4-[(3R,5R,8R,9R,10S,13S,14S,17S)-3-hydroxy-13-methyl-3-(trifluoromethyl)-2,4,5,6,7,8,9,10,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]-4-oxobutan-2-yl]benzonitrile with MolForge

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Related Compounds

1-[(3R,5R,8R,9R,10S,13S,14S,17S)-3-hydroxy-13-methyl-3-(trifluoromethyl)-2,4,5,6,7,8,9,10,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-phosphanyloxyethanone
CID 118447376
(3R,5R,8R,9R,10S,13S,14S,17S)-3-hydroxy-13-methyl-3-(trifluoromethyl)-2,4,5,6,7,8,9,10,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-17-carboxylic acid
CID 134175699
disodium;[2-[(5R,10S,13S,17S)-3-hydroxy-13-methyl-3-(trifluoromethyl)-2,4,5,6,7,8,9,10,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-oxoethyl] phosphate
CID 70086319
1-[2-[(3R,8R,9R,14S)-3-hydroxy-3,13-dimethyl-2,4,5,6,7,8,9,10,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-oxoethyl]pyrazole-4-carbonitrile
CID 167004299
1-[2-[(3R,5R,9R,10S,13S,14S,17S)-3-hydroxy-3,13-dimethyl-2,4,5,6,7,8,9,10,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-oxoethyl]pyrazole-4-carbonitrile
CID 147742920
1-[2-[(3R,8R,9R,13S,14S)-3-hydroxy-3,13-dimethyl-2,4,5,6,7,8,9,10,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-oxoethyl]pyrazole-4-carbonitrile
CID 162747356
5-fluoro-2-[2-[(3R,5R,8R,9R,10S,13S,14S,17S)-3-hydroxy-3,13-dimethyl-2,4,5,6,7,8,9,10,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-oxoethyl]benzonitrile;4-[2-[(3R,5R,8R,9R,10S,13S,14S,17S)-3-hydroxy-3,13-dimethyl-2,4,5,6,7,8,9,10,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-oxoethyl]-3-methylbenzonitrile
CID 165057580
(3S,17S)-N-[(4-cyanophenyl)methyl]-N,13-dimethyl-3-(trifluoromethyl)-1,2,3,4,5,6,7,8,9,10,11,12,14,15,16,17-hexadecahydrocyclopenta[a]phenanthrene-17-carboxamide;ethane
CID 145442981
1-[(3R,8R,9R,13S,14S,17S)-3-hydroxy-3,13-dimethyl-2,4,5,6,7,8,9,10,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]propan-1-one
CID 162747360
1-[3-[(3R,5S,8R,9R,10S,13S,14S,17S)-3-hydroxy-3,13-dimethyl-2,4,5,6,7,8,9,10,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]-3-oxopropyl]pyrazole-4-carbonitrile
CID 156859431
1-[(3R,5R,8R,9R,10S,13S,14S,17S)-3-hydroxy-13-methyl-3-(trifluoromethyl)-2,4,5,6,7,8,9,10,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-(1H-imidazol-5-yl)ethanone
CID 118965658
1-[(2R)-1-[(3R,5S,8R,9R,10S,13S,14S,17S)-3-hydroxy-3,13-dimethyl-2,4,5,6,7,8,9,10,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]-1-oxopropan-2-yl]pyrazole-4-carbonitrile
CID 121286837

Frequently Asked Questions

What is the IUPAC name of (3R,5R,8R,9R,10S,13S,14S,17S)-N-[(1S)-1-(4-cyanophenyl)ethyl]-3-hydroxy-N,13-dimethyl-3-(trifluoromethyl)-2,4,5,6,7,8,9,10,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-17-carboxamide;(3R,5R,8R,9R,10S,13S,14S,17S)-N-[(1R)-1-(4-cyanophenyl)ethyl]-3-hydroxy-N,13-dimethyl-3-(trifluoromethyl)-2,4,5,6,7,8,9,10,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-17-carboxamide;(3R,5R,8R,9R,10S,13S,14S,17S)-N-[(1R)-1-(4-cyanophenyl)ethyl]-3-methoxy-N,13-dimethyl-3-(trifluoromethyl)-2,4,5,6,7,8,9,10,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-17-carboxamide;(3R,5R,8R,9R,10S,13S,14S,17S)-N-[(1S)-1-(4-cyanophenyl)ethyl]-3-methoxy-N,3,13-trimethyl-2,4,5,6,7,8,9,10,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-17-carboxamide;4-[(2R)-4-[(3R,5R,8R,9R,10S,13S,14S,17S)-3-hydroxy-3,13-dimethyl-2,4,5,6,7,8,9,10,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]-4-oxobutan-2-yl]benzonitrile;4-[(2S)-4-[(3R,5R,8R,9R,10S,13S,14S,17S)-3-hydroxy-13-methyl-3-(trifluoromethyl)-2,4,5,6,7,8,9,10,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]-4-oxobutan-2-yl]benzonitrile?
The IUPAC name of (3R,5R,8R,9R,10S,13S,14S,17S)-N-[(1S)-1-(4-cyanophenyl)ethyl]-3-hydroxy-N,13-dimethyl-3-(trifluoromethyl)-2,4,5,6,7,8,9,10,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-17-carboxamide;(3R,5R,8R,9R,10S,13S,14S,17S)-N-[(1R)-1-(4-cyanophenyl)ethyl]-3-hydroxy-N,13-dimethyl-3-(trifluoromethyl)-2,4,5,6,7,8,9,10,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-17-carboxamide;(3R,5R,8R,9R,10S,13S,14S,17S)-N-[(1R)-1-(4-cyanophenyl)ethyl]-3-methoxy-N,13-dimethyl-3-(trifluoromethyl)-2,4,5,6,7,8,9,10,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-17-carboxamide;(3R,5R,8R,9R,10S,13S,14S,17S)-N-[(1S)-1-(4-cyanophenyl)ethyl]-3-methoxy-N,3,13-trimethyl-2,4,5,6,7,8,9,10,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-17-carboxamide;4-[(2R)-4-[(3R,5R,8R,9R,10S,13S,14S,17S)-3-hydroxy-3,13-dimethyl-2,4,5,6,7,8,9,10,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]-4-oxobutan-2-yl]benzonitrile;4-[(2S)-4-[(3R,5R,8R,9R,10S,13S,14S,17S)-3-hydroxy-13-methyl-3-(trifluoromethyl)-2,4,5,6,7,8,9,10,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]-4-oxobutan-2-yl]benzonitrile (CID 165073211) is (3R,5R,8R,9R,10S,13S,14S,17S)-N-[(1S)-1-(4-cyanophenyl)ethyl]-3-hydroxy-N,13-dimethyl-3-(trifluoromethyl)-2,4,5,6,7,8,9,10,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-17-carboxamide;(3R,5R,8R,9R,10S,13S,14S,17S)-N-[(1R)-1-(4-cyanophenyl)ethyl]-3-hydroxy-N,13-dimethyl-3-(trifluoromethyl)-2,4,5,6,7,8,9,10,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-17-carboxamide;(3R,5R,8R,9R,10S,13S,14S,17S)-N-[(1R)-1-(4-cyanophenyl)ethyl]-3-methoxy-N,13-dimethyl-3-(trifluoromethyl)-2,4,5,6,7,8,9,10,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-17-carboxamide;(3R,5R,8R,9R,10S,13S,14S,17S)-N-[(1S)-1-(4-cyanophenyl)ethyl]-3-methoxy-N,3,13-trimethyl-2,4,5,6,7,8,9,10,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-17-carboxamide;4-[(2R)-4-[(3R,5R,8R,9R,10S,13S,14S,17S)-3-hydroxy-3,13-dimethyl-2,4,5,6,7,8,9,10,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]-4-oxobutan-2-yl]benzonitrile;4-[(2S)-4-[(3R,5R,8R,9R,10S,13S,14S,17S)-3-hydroxy-13-methyl-3-(trifluoromethyl)-2,4,5,6,7,8,9,10,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]-4-oxobutan-2-yl]benzonitrile.
What is the SMILES notation for (3R,5R,8R,9R,10S,13S,14S,17S)-N-[(1S)-1-(4-cyanophenyl)ethyl]-3-hydroxy-N,13-dimethyl-3-(trifluoromethyl)-2,4,5,6,7,8,9,10,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-17-carboxamide;(3R,5R,8R,9R,10S,13S,14S,17S)-N-[(1R)-1-(4-cyanophenyl)ethyl]-3-hydroxy-N,13-dimethyl-3-(trifluoromethyl)-2,4,5,6,7,8,9,10,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-17-carboxamide;(3R,5R,8R,9R,10S,13S,14S,17S)-N-[(1R)-1-(4-cyanophenyl)ethyl]-3-methoxy-N,13-dimethyl-3-(trifluoromethyl)-2,4,5,6,7,8,9,10,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-17-carboxamide;(3R,5R,8R,9R,10S,13S,14S,17S)-N-[(1S)-1-(4-cyanophenyl)ethyl]-3-methoxy-N,3,13-trimethyl-2,4,5,6,7,8,9,10,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-17-carboxamide;4-[(2R)-4-[(3R,5R,8R,9R,10S,13S,14S,17S)-3-hydroxy-3,13-dimethyl-2,4,5,6,7,8,9,10,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]-4-oxobutan-2-yl]benzonitrile;4-[(2S)-4-[(3R,5R,8R,9R,10S,13S,14S,17S)-3-hydroxy-13-methyl-3-(trifluoromethyl)-2,4,5,6,7,8,9,10,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]-4-oxobutan-2-yl]benzonitrile?
The canonical SMILES for (3R,5R,8R,9R,10S,13S,14S,17S)-N-[(1S)-1-(4-cyanophenyl)ethyl]-3-hydroxy-N,13-dimethyl-3-(trifluoromethyl)-2,4,5,6,7,8,9,10,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-17-carboxamide;(3R,5R,8R,9R,10S,13S,14S,17S)-N-[(1R)-1-(4-cyanophenyl)ethyl]-3-hydroxy-N,13-dimethyl-3-(trifluoromethyl)-2,4,5,6,7,8,9,10,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-17-carboxamide;(3R,5R,8R,9R,10S,13S,14S,17S)-N-[(1R)-1-(4-cyanophenyl)ethyl]-3-methoxy-N,13-dimethyl-3-(trifluoromethyl)-2,4,5,6,7,8,9,10,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-17-carboxamide;(3R,5R,8R,9R,10S,13S,14S,17S)-N-[(1S)-1-(4-cyanophenyl)ethyl]-3-methoxy-N,3,13-trimethyl-2,4,5,6,7,8,9,10,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-17-carboxamide;4-[(2R)-4-[(3R,5R,8R,9R,10S,13S,14S,17S)-3-hydroxy-3,13-dimethyl-2,4,5,6,7,8,9,10,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]-4-oxobutan-2-yl]benzonitrile;4-[(2S)-4-[(3R,5R,8R,9R,10S,13S,14S,17S)-3-hydroxy-13-methyl-3-(trifluoromethyl)-2,4,5,6,7,8,9,10,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]-4-oxobutan-2-yl]benzonitrile is CO[C@]1(C(F)(F)F)CC[C@H]2[C@H](CC[C@@H]3[C@@H]2CC[C@]2(C)[C@@H](C(=O)N(C)[C@H](C)c4ccc(C#N)cc4)CC[C@@H]32)C1.CO[C@]1(C)CC[C@H]2[C@H](CC[C@@H]3[C@@H]2CC[C@]2(C)[C@@H](C(=O)N(C)[C@@H](C)c4ccc(C#N)cc4)CC[C@@H]32)C1.C[C@@H](CC(=O)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@@](O)(C(F)(F)F)CC[C@@H]4[C@H]3CC[C@]12C)c1ccc(C#N)cc1.C[C@@H](c1ccc(C#N)cc1)N(C)C(=O)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@@](O)(C(F)(F)F)CC[C@@H]4[C@H]3CC[C@]12C.C[C@H](CC(=O)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@](C)(O)CC[C@@H]4[C@H]3CC[C@]12C)c1ccc(C#N)cc1.C[C@H](c1ccc(C#N)cc1)N(C)C(=O)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@@](O)(C(F)(F)F)CC[C@@H]4[C@H]3CC[C@]12C.
What is the InChIKey of (3R,5R,8R,9R,10S,13S,14S,17S)-N-[(1S)-1-(4-cyanophenyl)ethyl]-3-hydroxy-N,13-dimethyl-3-(trifluoromethyl)-2,4,5,6,7,8,9,10,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-17-carboxamide;(3R,5R,8R,9R,10S,13S,14S,17S)-N-[(1R)-1-(4-cyanophenyl)ethyl]-3-hydroxy-N,13-dimethyl-3-(trifluoromethyl)-2,4,5,6,7,8,9,10,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-17-carboxamide;(3R,5R,8R,9R,10S,13S,14S,17S)-N-[(1R)-1-(4-cyanophenyl)ethyl]-3-methoxy-N,13-dimethyl-3-(trifluoromethyl)-2,4,5,6,7,8,9,10,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-17-carboxamide;(3R,5R,8R,9R,10S,13S,14S,17S)-N-[(1S)-1-(4-cyanophenyl)ethyl]-3-methoxy-N,3,13-trimethyl-2,4,5,6,7,8,9,10,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-17-carboxamide;4-[(2R)-4-[(3R,5R,8R,9R,10S,13S,14S,17S)-3-hydroxy-3,13-dimethyl-2,4,5,6,7,8,9,10,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]-4-oxobutan-2-yl]benzonitrile;4-[(2S)-4-[(3R,5R,8R,9R,10S,13S,14S,17S)-3-hydroxy-13-methyl-3-(trifluoromethyl)-2,4,5,6,7,8,9,10,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]-4-oxobutan-2-yl]benzonitrile?
The InChIKey is TWJDMGRXABZHNI-XRIPOZMLSA-N. The full InChI is InChI=1S/C31H41F3N2O2.C31H44N2O2.2C30H39F3N2O2.C30H38F3NO2.C30H41NO2/c1-19(21-7-5-20(18-35)6-8-21)36(3)28(37)27-12-11-26-25-10-9-22-17-30(38-4,31(32,33)34)16-14-23(22)24(25)13-15-29(26,27)2;1-20(22-8-6-21(19-32)7-9-22)33(4)29(34)28-13-12-27-26-11-10-23-18-30(2,35-5)16-14-24(23)25(26)15-17-31(27,28)3;2*1-18(20-6-4-19(17-34)5-7-20)35(3)27(36)26-11-10-25-24-9-8-21-16-29(37,30(31,32)33)15-13-22(21)23(24)12-14-28(25,26)2;1-18(20-5-3-19(17-34)4-6-20)15-27(35)26-10-9-25-24-8-7-21-16-29(36,30(31,32)33)14-12-22(21)23(24)11-13-28(25,26)2;1-19(21-6-4-20(18-31)5-7-21)16-28(32)27-11-10-26-25-9-8-22-17-29(2,33)14-12-23(22)24(25)13-15-30(26,27)3/h5-8,19,22-27H,9-17H2,1-4H3;6-9,20,23-28H,10-18H2,1-5H3;2*4-7,18,21-26,37H,8-16H2,1-3H3;3-6,18,21-26,36H,7-16H2,1-2H3;4-7,19,22-27,33H,8-17H2,1-3H3/t19-,22-,23+,24-,25-,26+,27-,29+,30-;20-,23+,24-,25+,26+,27-,28+,30+,31-;18-,21+,22-,23+,24+,25-,26+,28-,29+;18-,21-,22+,23-,24-,25+,26-,28+,29-;18-,21+,22-,23+,24+,25-,26+,28-,29+;19-,22-,23+,24-,25-,26+,27-,29-,30+/m100101/s1.
What are the key properties of (3R,5R,8R,9R,10S,13S,14S,17S)-N-[(1S)-1-(4-cyanophenyl)ethyl]-3-hydroxy-N,13-dimethyl-3-(trifluoromethyl)-2,4,5,6,7,8,9,10,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-17-carboxamide;(3R,5R,8R,9R,10S,13S,14S,17S)-N-[(1R)-1-(4-cyanophenyl)ethyl]-3-hydroxy-N,13-dimethyl-3-(trifluoromethyl)-2,4,5,6,7,8,9,10,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-17-carboxamide;(3R,5R,8R,9R,10S,13S,14S,17S)-N-[(1R)-1-(4-cyanophenyl)ethyl]-3-methoxy-N,13-dimethyl-3-(trifluoromethyl)-2,4,5,6,7,8,9,10,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-17-carboxamide;(3R,5R,8R,9R,10S,13S,14S,17S)-N-[(1S)-1-(4-cyanophenyl)ethyl]-3-methoxy-N,3,13-trimethyl-2,4,5,6,7,8,9,10,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-17-carboxamide;4-[(2R)-4-[(3R,5R,8R,9R,10S,13S,14S,17S)-3-hydroxy-3,13-dimethyl-2,4,5,6,7,8,9,10,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]-4-oxobutan-2-yl]benzonitrile;4-[(2S)-4-[(3R,5R,8R,9R,10S,13S,14S,17S)-3-hydroxy-13-methyl-3-(trifluoromethyl)-2,4,5,6,7,8,9,10,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]-4-oxobutan-2-yl]benzonitrile?
(3R,5R,8R,9R,10S,13S,14S,17S)-N-[(1S)-1-(4-cyanophenyl)ethyl]-3-hydroxy-N,13-dimethyl-3-(trifluoromethyl)-2,4,5,6,7,8,9,10,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-17-carboxamide;(3R,5R,8R,9R,10S,13S,14S,17S)-N-[(1R)-1-(4-cyanophenyl)ethyl]-3-hydroxy-N,13-dimethyl-3-(trifluoromethyl)-2,4,5,6,7,8,9,10,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-17-carboxamide;(3R,5R,8R,9R,10S,13S,14S,17S)-N-[(1R)-1-(4-cyanophenyl)ethyl]-3-methoxy-N,13-dimethyl-3-(trifluoromethyl)-2,4,5,6,7,8,9,10,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-17-carboxamide;(3R,5R,8R,9R,10S,13S,14S,17S)-N-[(1S)-1-(4-cyanophenyl)ethyl]-3-methoxy-N,3,13-trimethyl-2,4,5,6,7,8,9,10,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-17-carboxamide;4-[(2R)-4-[(3R,5R,8R,9R,10S,13S,14S,17S)-3-hydroxy-3,13-dimethyl-2,4,5,6,7,8,9,10,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]-4-oxobutan-2-yl]benzonitrile;4-[(2S)-4-[(3R,5R,8R,9R,10S,13S,14S,17S)-3-hydroxy-13-methyl-3-(trifluoromethyl)-2,4,5,6,7,8,9,10,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]-4-oxobutan-2-yl]benzonitrile has a molecular weight of 2989.97 g/mol, XLogP of 41.15, 22 rotatable bonds, 4 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,5R,8R,9R,10S,13S,14S,17S)-N-[(1S)-1-(4-cyanophenyl)ethyl]-3-hydroxy-N,13-dimethyl-3-(trifluoromethyl)-2,4,5,6,7,8,9,10,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-17-carboxamide;(3R,5R,8R,9R,10S,13S,14S,17S)-N-[(1R)-1-(4-cyanophenyl)ethyl]-3-hydroxy-N,13-dimethyl-3-(trifluoromethyl)-2,4,5,6,7,8,9,10,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-17-carboxamide;(3R,5R,8R,9R,10S,13S,14S,17S)-N-[(1R)-1-(4-cyanophenyl)ethyl]-3-methoxy-N,13-dimethyl-3-(trifluoromethyl)-2,4,5,6,7,8,9,10,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-17-carboxamide;(3R,5R,8R,9R,10S,13S,14S,17S)-N-[(1S)-1-(4-cyanophenyl)ethyl]-3-methoxy-N,3,13-trimethyl-2,4,5,6,7,8,9,10,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-17-carboxamide;4-[(2R)-4-[(3R,5R,8R,9R,10S,13S,14S,17S)-3-hydroxy-3,13-dimethyl-2,4,5,6,7,8,9,10,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]-4-oxobutan-2-yl]benzonitrile;4-[(2S)-4-[(3R,5R,8R,9R,10S,13S,14S,17S)-3-hydroxy-13-methyl-3-(trifluoromethyl)-2,4,5,6,7,8,9,10,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]-4-oxobutan-2-yl]benzonitrile is sourced from PubChem (CID 165073211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).