(3S,8S,9S,10R,13S,14S,17S)-10,13-dimethyl-17-[(2R)-1,1,1-trifluoro-2-hydroxy-4-(4-methylphenyl)butan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol;(3S,5S,8R,9S,10S,13S,14S,17S)-10,13-dimethyl-17-[(2R)-1,1,1-trifluoro-2-hydroxy-4-(4-methylphenyl)butan-2-yl]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-ol;(3S,8S,9S,10R,13S,14S,17S)-17-[(2R)-2-hydroxy-4-(4-methylphenyl)butan-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol;(3S,5S,8R,9S,10S,13S,14S,17S)-17-[(2R)-2-hydroxy-4-(4-methylphenyl)butan-2-yl]-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-ol;(3S,8S,9S,10R,13S,14S,17S)-17-[(1R)-1-hydroxy-3-(4-methylphenyl)-1-phenylpropyl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol;(2R)-4-(4-methylphenyl)-2-[(3S,5R,8R,9S,10S,13S,14S,17S)-3,10,13-trimethyl-2,3,4,5,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]butan-2-ol

C186H266F6O11 — CID 161066088

About (3S,8S,9S,10R,13S,14S,17S)-10,13-dimethyl-17-[(2R)-1,1,1-trifluoro-2-hydroxy-4-(4-methylphenyl)butan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol;(3S,5S,8R,9S,10S,13S,14S,17S)-10,13-dimethyl-17-[(2R)-1,1,1-trifluoro-2-hydroxy-4-(4-methylphenyl)butan-2-yl]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-ol;(3S,8S,9S,10R,13S,14S,17S)-17-[(2R)-2-hydroxy-4-(4-methylphenyl)butan-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol;(3S,5S,8R,9S,10S,13S,14S,17S)-17-[(2R)-2-hydroxy-4-(4-methylphenyl)butan-2-yl]-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-ol;(3S,8S,9S,10R,13S,14S,17S)-17-[(1R)-1-hydroxy-3-(4-methylphenyl)-1-phenylpropyl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol;(2R)-4-(4-methylphenyl)-2-[(3S,5R,8R,9S,10S,13S,14S,17S)-3,10,13-trimethyl-2,3,4,5,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]butan-2-ol

(3S,8S,9S,10R,13S,14S,17S)-10,13-dimethyl-17-[(2R)-1,1,1-trifluoro-2-hydroxy-4-(4-methylphenyl)butan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol;(3S,5S,8R,9S,10S,13S,14S,17S)-10,13-dimethyl-17-[(2R)-1,1,1-trifluoro-2-hydroxy-4-(4-methylphenyl)butan-2-yl]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-ol;(3S,8S,9S,10R,13S,14S,17S)-17-[(2R)-2-hydroxy-4-(4-methylphenyl)butan-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol;(3S,5S,8R,9S,10S,13S,14S,17S)-17-[(2R)-2-hydroxy-4-(4-methylphenyl)butan-2-yl]-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-ol;(3S,8S,9S,10R,13S,14S,17S)-17-[(1R)-1-hydroxy-3-(4-methylphenyl)-1-phenylpropyl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol;(2R)-4-(4-methylphenyl)-2-[(3S,5R,8R,9S,10S,13S,14S,17S)-3,10,13-trimethyl-2,3,4,5,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]butan-2-ol (PubChem CID 161066088) has the molecular formula C186H266F6O11 and a molecular weight of 2792.15 g/mol. Its IUPAC name is (3S,8S,9S,10R,13S,14S,17S)-10,13-dimethyl-17-[(2R)-1,1,1-trifluoro-2-hydroxy-4-(4-methylphenyl)butan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol;(3S,5S,8R,9S,10S,13S,14S,17S)-10,13-dimethyl-17-[(2R)-1,1,1-trifluoro-2-hydroxy-4-(4-methylphenyl)butan-2-yl]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-ol;(3S,8S,9S,10R,13S,14S,17S)-17-[(2R)-2-hydroxy-4-(4-methylphenyl)butan-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol;(3S,5S,8R,9S,10S,13S,14S,17S)-17-[(2R)-2-hydroxy-4-(4-methylphenyl)butan-2-yl]-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-ol;(3S,8S,9S,10R,13S,14S,17S)-17-[(1R)-1-hydroxy-3-(4-methylphenyl)-1-phenylpropyl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol;(2R)-4-(4-methylphenyl)-2-[(3S,5R,8R,9S,10S,13S,14S,17S)-3,10,13-trimethyl-2,3,4,5,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]butan-2-ol.

Molecular Properties

• Compound Name: (3S,8S,9S,10R,13S,14S,17S)-10,13-dimethyl-17-[(2R)-1,1,1-trifluoro-2-hydroxy-4-(4-methylphenyl)butan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol;(3S,5S,8R,9S,10S,13S,14S,17S)-10,13-dimethyl-17-[(2R)-1,1,1-trifluoro-2-hydroxy-4-(4-methylphenyl)butan-2-yl]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-ol;(3S,8S,9S,10R,13S,14S,17S)-17-[(2R)-2-hydroxy-4-(4-methylphenyl)butan-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol;(3S,5S,8R,9S,10S,13S,14S,17S)-17-[(2R)-2-hydroxy-4-(4-methylphenyl)butan-2-yl]-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-ol;(3S,8S,9S,10R,13S,14S,17S)-17-[(1R)-1-hydroxy-3-(4-methylphenyl)-1-phenylpropyl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol;(2R)-4-(4-methylphenyl)-2-[(3S,5R,8R,9S,10S,13S,14S,17S)-3,10,13-trimethyl-2,3,4,5,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]butan-2-ol
• PubChem CID: 161066088
• Molecular Formula: C186H266F6O11
• Molecular Weight: 2792.15 g/mol
• Exact Mass: 2790.02
• IUPAC Name: (3S,8S,9S,10R,13S,14S,17S)-10,13-dimethyl-17-[(2R)-1,1,1-trifluoro-2-hydroxy-4-(4-methylphenyl)butan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol;(3S,5S,8R,9S,10S,13S,14S,17S)-10,13-dimethyl-17-[(2R)-1,1,1-trifluoro-2-hydroxy-4-(4-methylphenyl)butan-2-yl]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-ol;(3S,8S,9S,10R,13S,14S,17S)-17-[(2R)-2-hydroxy-4-(4-methylphenyl)butan-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol;(3S,5S,8R,9S,10S,13S,14S,17S)-17-[(2R)-2-hydroxy-4-(4-methylphenyl)butan-2-yl]-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-ol;(3S,8S,9S,10R,13S,14S,17S)-17-[(1R)-1-hydroxy-3-(4-methylphenyl)-1-phenylpropyl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol;(2R)-4-(4-methylphenyl)-2-[(3S,5R,8R,9S,10S,13S,14S,17S)-3,10,13-trimethyl-2,3,4,5,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]butan-2-ol
• SMILES: Cc1ccc(CC[C@@](C)(O)[C@H]2CC[C@H]3[C@@H]4C=C[C@H]5C[C@@H](C)CC[C@]5(C)[C@H]4CC[C@@]32C)cc1.Cc1ccc(CC[C@@](C)(O)[C@H]2CC[C@H]3[C@@H]4CC=C5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@@]32C)cc1.Cc1ccc(CC[C@@](C)(O)[C@H]2CC[C@H]3[C@@H]4CC[C@H]5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@@]32C)cc1.Cc1ccc(CC[C@@](O)([C@H]2CC[C@H]3[C@@H]4CC=C5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@@]32C)C(F)(F)F)cc1.Cc1ccc(CC[C@@](O)([C@H]2CC[C@H]3[C@@H]4CC[C@H]5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@@]32C)C(F)(F)F)cc1.Cc1ccc(CC[C@](O)(c2ccccc2)[C@H]2CC[C@H]3[C@@H]4CC=C5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@@]32C)cc1
• InChI: InChI=1S/C35H46O2.C31H46O.C30H43F3O2.C30H41F3O2.C30H46O2.C30H44O2/c1-24-9-11-25(12-10-24)17-22-35(37,26-7-5-4-6-8-26)32-16-15-30-29-14-13-27-23-28(36)18-20-33(27,2)31(29)19-21-34(30,32)3;1-21-6-8-23(9-7-21)15-19-31(5,32)28-13-12-26-25-11-10-24-20-22(2)14-17-29(24,3)27(25)16-18-30(26,28)4;2*1-19-4-6-20(7-5-19)12-17-29(35,30(31,32)33)26-11-10-24-23-9-8-21-18-22(34)13-15-27(21,2)25(23)14-16-28(24,26)3;2*1-20-5-7-21(8-6-20)13-18-30(4,32)27-12-11-25-24-10-9-22-19-23(31)14-16-28(22,2)26(24)15-17-29(25,27)3/h4-13,28-32,36-37H,14-23H2,1-3H3;6-11,22,24-28,32H,12-20H2,1-5H3;4-7,21-26,34-35H,8-18H2,1-3H3;4-8,22-26,34-35H,9-18H2,1-3H3;5-8,22-27,31-32H,9-19H2,1-4H3;5-9,23-27,31-32H,10-19H2,1-4H3/t28-,29-,30-,31-,32-,33-,34-,35-;22-,24-,25-,26-,27-,28-,29-,30-,31+;21-,22-,23-,24-,25-,26-,27-,28-,29+;22-,23-,24-,25-,26-,27-,28-,29+;22-,23-,24-,25-,26-,27-,28-,29-,30+;23-,24-,25-,26-,27-,28-,29-,30+/m000000/s1
• InChIKey: UEARMGDXYHSSRF-XXENOFMXSA-N
• XLogP: 43.22
• TPSA: 222.53 Ų
• H-Bond Donors: 11
• H-Bond Acceptors: 11
• Rotatable Bonds: 25
• Heavy Atoms: 203
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2792.15
LogP ≤ 5	43.22
H-Bond Donors ≤ 5	11
H-Bond Acceptors ≤ 10	11

Frequently Asked Questions

What is the IUPAC name of (3S,8S,9S,10R,13S,14S,17S)-10,13-dimethyl-17-[(2R)-1,1,1-trifluoro-2-hydroxy-4-(4-methylphenyl)butan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol;(3S,5S,8R,9S,10S,13S,14S,17S)-10,13-dimethyl-17-[(2R)-1,1,1-trifluoro-2-hydroxy-4-(4-methylphenyl)butan-2-yl]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-ol;(3S,8S,9S,10R,13S,14S,17S)-17-[(2R)-2-hydroxy-4-(4-methylphenyl)butan-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol;(3S,5S,8R,9S,10S,13S,14S,17S)-17-[(2R)-2-hydroxy-4-(4-methylphenyl)butan-2-yl]-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-ol;(3S,8S,9S,10R,13S,14S,17S)-17-[(1R)-1-hydroxy-3-(4-methylphenyl)-1-phenylpropyl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol;(2R)-4-(4-methylphenyl)-2-[(3S,5R,8R,9S,10S,13S,14S,17S)-3,10,13-trimethyl-2,3,4,5,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]butan-2-ol?

The IUPAC name of (3S,8S,9S,10R,13S,14S,17S)-10,13-dimethyl-17-[(2R)-1,1,1-trifluoro-2-hydroxy-4-(4-methylphenyl)butan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol;(3S,5S,8R,9S,10S,13S,14S,17S)-10,13-dimethyl-17-[(2R)-1,1,1-trifluoro-2-hydroxy-4-(4-methylphenyl)butan-2-yl]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-ol;(3S,8S,9S,10R,13S,14S,17S)-17-[(2R)-2-hydroxy-4-(4-methylphenyl)butan-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol;(3S,5S,8R,9S,10S,13S,14S,17S)-17-[(2R)-2-hydroxy-4-(4-methylphenyl)butan-2-yl]-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-ol;(3S,8S,9S,10R,13S,14S,17S)-17-[(1R)-1-hydroxy-3-(4-methylphenyl)-1-phenylpropyl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol;(2R)-4-(4-methylphenyl)-2-[(3S,5R,8R,9S,10S,13S,14S,17S)-3,10,13-trimethyl-2,3,4,5,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]butan-2-ol (CID 161066088) is (3S,8S,9S,10R,13S,14S,17S)-10,13-dimethyl-17-[(2R)-1,1,1-trifluoro-2-hydroxy-4-(4-methylphenyl)butan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol;(3S,5S,8R,9S,10S,13S,14S,17S)-10,13-dimethyl-17-[(2R)-1,1,1-trifluoro-2-hydroxy-4-(4-methylphenyl)butan-2-yl]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-ol;(3S,8S,9S,10R,13S,14S,17S)-17-[(2R)-2-hydroxy-4-(4-methylphenyl)butan-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol;(3S,5S,8R,9S,10S,13S,14S,17S)-17-[(2R)-2-hydroxy-4-(4-methylphenyl)butan-2-yl]-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-ol;(3S,8S,9S,10R,13S,14S,17S)-17-[(1R)-1-hydroxy-3-(4-methylphenyl)-1-phenylpropyl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol;(2R)-4-(4-methylphenyl)-2-[(3S,5R,8R,9S,10S,13S,14S,17S)-3,10,13-trimethyl-2,3,4,5,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]butan-2-ol.

What is the SMILES notation for (3S,8S,9S,10R,13S,14S,17S)-10,13-dimethyl-17-[(2R)-1,1,1-trifluoro-2-hydroxy-4-(4-methylphenyl)butan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol;(3S,5S,8R,9S,10S,13S,14S,17S)-10,13-dimethyl-17-[(2R)-1,1,1-trifluoro-2-hydroxy-4-(4-methylphenyl)butan-2-yl]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-ol;(3S,8S,9S,10R,13S,14S,17S)-17-[(2R)-2-hydroxy-4-(4-methylphenyl)butan-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol;(3S,5S,8R,9S,10S,13S,14S,17S)-17-[(2R)-2-hydroxy-4-(4-methylphenyl)butan-2-yl]-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-ol;(3S,8S,9S,10R,13S,14S,17S)-17-[(1R)-1-hydroxy-3-(4-methylphenyl)-1-phenylpropyl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol;(2R)-4-(4-methylphenyl)-2-[(3S,5R,8R,9S,10S,13S,14S,17S)-3,10,13-trimethyl-2,3,4,5,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]butan-2-ol?

The canonical SMILES for (3S,8S,9S,10R,13S,14S,17S)-10,13-dimethyl-17-[(2R)-1,1,1-trifluoro-2-hydroxy-4-(4-methylphenyl)butan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol;(3S,5S,8R,9S,10S,13S,14S,17S)-10,13-dimethyl-17-[(2R)-1,1,1-trifluoro-2-hydroxy-4-(4-methylphenyl)butan-2-yl]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-ol;(3S,8S,9S,10R,13S,14S,17S)-17-[(2R)-2-hydroxy-4-(4-methylphenyl)butan-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol;(3S,5S,8R,9S,10S,13S,14S,17S)-17-[(2R)-2-hydroxy-4-(4-methylphenyl)butan-2-yl]-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-ol;(3S,8S,9S,10R,13S,14S,17S)-17-[(1R)-1-hydroxy-3-(4-methylphenyl)-1-phenylpropyl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol;(2R)-4-(4-methylphenyl)-2-[(3S,5R,8R,9S,10S,13S,14S,17S)-3,10,13-trimethyl-2,3,4,5,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]butan-2-ol is Cc1ccc(CC[C@@](C)(O)[C@H]2CC[C@H]3[C@@H]4C=C[C@H]5C[C@@H](C)CC[C@]5(C)[C@H]4CC[C@@]32C)cc1.Cc1ccc(CC[C@@](C)(O)[C@H]2CC[C@H]3[C@@H]4CC=C5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@@]32C)cc1.Cc1ccc(CC[C@@](C)(O)[C@H]2CC[C@H]3[C@@H]4CC[C@H]5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@@]32C)cc1.Cc1ccc(CC[C@@](O)([C@H]2CC[C@H]3[C@@H]4CC=C5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@@]32C)C(F)(F)F)cc1.Cc1ccc(CC[C@@](O)([C@H]2CC[C@H]3[C@@H]4CC[C@H]5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@@]32C)C(F)(F)F)cc1.Cc1ccc(CC[C@](O)(c2ccccc2)[C@H]2CC[C@H]3[C@@H]4CC=C5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@@]32C)cc1.

What is the InChIKey of (3S,8S,9S,10R,13S,14S,17S)-10,13-dimethyl-17-[(2R)-1,1,1-trifluoro-2-hydroxy-4-(4-methylphenyl)butan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol;(3S,5S,8R,9S,10S,13S,14S,17S)-10,13-dimethyl-17-[(2R)-1,1,1-trifluoro-2-hydroxy-4-(4-methylphenyl)butan-2-yl]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-ol;(3S,8S,9S,10R,13S,14S,17S)-17-[(2R)-2-hydroxy-4-(4-methylphenyl)butan-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol;(3S,5S,8R,9S,10S,13S,14S,17S)-17-[(2R)-2-hydroxy-4-(4-methylphenyl)butan-2-yl]-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-ol;(3S,8S,9S,10R,13S,14S,17S)-17-[(1R)-1-hydroxy-3-(4-methylphenyl)-1-phenylpropyl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol;(2R)-4-(4-methylphenyl)-2-[(3S,5R,8R,9S,10S,13S,14S,17S)-3,10,13-trimethyl-2,3,4,5,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]butan-2-ol?

The InChIKey is UEARMGDXYHSSRF-XXENOFMXSA-N. The full InChI is InChI=1S/C35H46O2.C31H46O.C30H43F3O2.C30H41F3O2.C30H46O2.C30H44O2/c1-24-9-11-25(12-10-24)17-22-35(37,26-7-5-4-6-8-26)32-16-15-30-29-14-13-27-23-28(36)18-20-33(27,2)31(29)19-21-34(30,32)3;1-21-6-8-23(9-7-21)15-19-31(5,32)28-13-12-26-25-11-10-24-20-22(2)14-17-29(24,3)27(25)16-18-30(26,28)4;2*1-19-4-6-20(7-5-19)12-17-29(35,30(31,32)33)26-11-10-24-23-9-8-21-18-22(34)13-15-27(21,2)25(23)14-16-28(24,26)3;2*1-20-5-7-21(8-6-20)13-18-30(4,32)27-12-11-25-24-10-9-22-19-23(31)14-16-28(22,2)26(24)15-17-29(25,27)3/h4-13,28-32,36-37H,14-23H2,1-3H3;6-11,22,24-28,32H,12-20H2,1-5H3;4-7,21-26,34-35H,8-18H2,1-3H3;4-8,22-26,34-35H,9-18H2,1-3H3;5-8,22-27,31-32H,9-19H2,1-4H3;5-9,23-27,31-32H,10-19H2,1-4H3/t28-,29-,30-,31-,32-,33-,34-,35-;22-,24-,25-,26-,27-,28-,29-,30-,31+;21-,22-,23-,24-,25-,26-,27-,28-,29+;22-,23-,24-,25-,26-,27-,28-,29+;22-,23-,24-,25-,26-,27-,28-,29-,30+;23-,24-,25-,26-,27-,28-,29-,30+/m000000/s1.

What are the key properties of (3S,8S,9S,10R,13S,14S,17S)-10,13-dimethyl-17-[(2R)-1,1,1-trifluoro-2-hydroxy-4-(4-methylphenyl)butan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol;(3S,5S,8R,9S,10S,13S,14S,17S)-10,13-dimethyl-17-[(2R)-1,1,1-trifluoro-2-hydroxy-4-(4-methylphenyl)butan-2-yl]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-ol;(3S,8S,9S,10R,13S,14S,17S)-17-[(2R)-2-hydroxy-4-(4-methylphenyl)butan-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol;(3S,5S,8R,9S,10S,13S,14S,17S)-17-[(2R)-2-hydroxy-4-(4-methylphenyl)butan-2-yl]-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-ol;(3S,8S,9S,10R,13S,14S,17S)-17-[(1R)-1-hydroxy-3-(4-methylphenyl)-1-phenylpropyl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol;(2R)-4-(4-methylphenyl)-2-[(3S,5R,8R,9S,10S,13S,14S,17S)-3,10,13-trimethyl-2,3,4,5,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]butan-2-ol?

(3S,8S,9S,10R,13S,14S,17S)-10,13-dimethyl-17-[(2R)-1,1,1-trifluoro-2-hydroxy-4-(4-methylphenyl)butan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol;(3S,5S,8R,9S,10S,13S,14S,17S)-10,13-dimethyl-17-[(2R)-1,1,1-trifluoro-2-hydroxy-4-(4-methylphenyl)butan-2-yl]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-ol;(3S,8S,9S,10R,13S,14S,17S)-17-[(2R)-2-hydroxy-4-(4-methylphenyl)butan-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol;(3S,5S,8R,9S,10S,13S,14S,17S)-17-[(2R)-2-hydroxy-4-(4-methylphenyl)butan-2-yl]-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-ol;(3S,8S,9S,10R,13S,14S,17S)-17-[(1R)-1-hydroxy-3-(4-methylphenyl)-1-phenylpropyl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol;(2R)-4-(4-methylphenyl)-2-[(3S,5R,8R,9S,10S,13S,14S,17S)-3,10,13-trimethyl-2,3,4,5,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]butan-2-ol has a molecular weight of 2792.15 g/mol, XLogP of 43.22, 25 rotatable bonds, 11 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for (3S,8S,9S,10R,13S,14S,17S)-10,13-dimethyl-17-[(2R)-1,1,1-trifluoro-2-hydroxy-4-(4-methylphenyl)butan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol;(3S,5S,8R,9S,10S,13S,14S,17S)-10,13-dimethyl-17-[(2R)-1,1,1-trifluoro-2-hydroxy-4-(4-methylphenyl)butan-2-yl]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-ol;(3S,8S,9S,10R,13S,14S,17S)-17-[(2R)-2-hydroxy-4-(4-methylphenyl)butan-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol;(3S,5S,8R,9S,10S,13S,14S,17S)-17-[(2R)-2-hydroxy-4-(4-methylphenyl)butan-2-yl]-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-ol;(3S,8S,9S,10R,13S,14S,17S)-17-[(1R)-1-hydroxy-3-(4-methylphenyl)-1-phenylpropyl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol;(2R)-4-(4-methylphenyl)-2-[(3S,5R,8R,9S,10S,13S,14S,17S)-3,10,13-trimethyl-2,3,4,5,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]butan-2-ol is sourced from PubChem (CID 161066088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).