(3S,8R,9S,10R,13S,14S,17S)-3-(2-chloroethynyl)-17-(3-imidazol-1-ylprop-1-en-2-yl)-13-methyl-2,4,7,8,9,10,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol;(3S,8R,9S,10R,13S,14S,17S)-3-(2-cyclopropylethynyl)-17-(3-imidazol-1-ylprop-1-en-2-yl)-13-methyl-2,4,7,8,9,10,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol;(3S,8R,9S,10R,13S,14S,17S)-3-(difluoromethyl)-17-(3-imidazol-1-ylprop-1-en-2-yl)-13-methyl-2,4,7,8,9,10,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol;(3S,8R,9S,10R,13S,14S,17S)-3-(fluoromethyl)-17-(3-imidazol-1-ylprop-1-en-2-yl)-13-methyl-2,4,7,8,9,10,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol;(3S,8R,9S,10R,13S,14S,17S)-17-(3-imidazol-1-ylprop-1-en-2-yl)-3-(methoxymethyl)-13-methyl-2,4,7,8,9,10,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol

C131H178ClF3N10O6 — CID 157332063

About (3S,8R,9S,10R,13S,14S,17S)-3-(2-chloroethynyl)-17-(3-imidazol-1-ylprop-1-en-2-yl)-13-methyl-2,4,7,8,9,10,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol;(3S,8R,9S,10R,13S,14S,17S)-3-(2-cyclopropylethynyl)-17-(3-imidazol-1-ylprop-1-en-2-yl)-13-methyl-2,4,7,8,9,10,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol;(3S,8R,9S,10R,13S,14S,17S)-3-(difluoromethyl)-17-(3-imidazol-1-ylprop-1-en-2-yl)-13-methyl-2,4,7,8,9,10,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol;(3S,8R,9S,10R,13S,14S,17S)-3-(fluoromethyl)-17-(3-imidazol-1-ylprop-1-en-2-yl)-13-methyl-2,4,7,8,9,10,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol;(3S,8R,9S,10R,13S,14S,17S)-17-(3-imidazol-1-ylprop-1-en-2-yl)-3-(methoxymethyl)-13-methyl-2,4,7,8,9,10,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol

(3S,8R,9S,10R,13S,14S,17S)-3-(2-chloroethynyl)-17-(3-imidazol-1-ylprop-1-en-2-yl)-13-methyl-2,4,7,8,9,10,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol;(3S,8R,9S,10R,13S,14S,17S)-3-(2-cyclopropylethynyl)-17-(3-imidazol-1-ylprop-1-en-2-yl)-13-methyl-2,4,7,8,9,10,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol;(3S,8R,9S,10R,13S,14S,17S)-3-(difluoromethyl)-17-(3-imidazol-1-ylprop-1-en-2-yl)-13-methyl-2,4,7,8,9,10,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol;(3S,8R,9S,10R,13S,14S,17S)-3-(fluoromethyl)-17-(3-imidazol-1-ylprop-1-en-2-yl)-13-methyl-2,4,7,8,9,10,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol;(3S,8R,9S,10R,13S,14S,17S)-17-(3-imidazol-1-ylprop-1-en-2-yl)-3-(methoxymethyl)-13-methyl-2,4,7,8,9,10,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol (PubChem CID 157332063) has the molecular formula C131H178ClF3N10O6 and a molecular weight of 2081.38 g/mol. Its IUPAC name is (3S,8R,9S,10R,13S,14S,17S)-3-(2-chloroethynyl)-17-(3-imidazol-1-ylprop-1-en-2-yl)-13-methyl-2,4,7,8,9,10,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol;(3S,8R,9S,10R,13S,14S,17S)-3-(2-cyclopropylethynyl)-17-(3-imidazol-1-ylprop-1-en-2-yl)-13-methyl-2,4,7,8,9,10,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol;(3S,8R,9S,10R,13S,14S,17S)-3-(difluoromethyl)-17-(3-imidazol-1-ylprop-1-en-2-yl)-13-methyl-2,4,7,8,9,10,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol;(3S,8R,9S,10R,13S,14S,17S)-3-(fluoromethyl)-17-(3-imidazol-1-ylprop-1-en-2-yl)-13-methyl-2,4,7,8,9,10,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol;(3S,8R,9S,10R,13S,14S,17S)-17-(3-imidazol-1-ylprop-1-en-2-yl)-3-(methoxymethyl)-13-methyl-2,4,7,8,9,10,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol.

Molecular Properties

• Compound Name: (3S,8R,9S,10R,13S,14S,17S)-3-(2-chloroethynyl)-17-(3-imidazol-1-ylprop-1-en-2-yl)-13-methyl-2,4,7,8,9,10,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol;(3S,8R,9S,10R,13S,14S,17S)-3-(2-cyclopropylethynyl)-17-(3-imidazol-1-ylprop-1-en-2-yl)-13-methyl-2,4,7,8,9,10,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol;(3S,8R,9S,10R,13S,14S,17S)-3-(difluoromethyl)-17-(3-imidazol-1-ylprop-1-en-2-yl)-13-methyl-2,4,7,8,9,10,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol;(3S,8R,9S,10R,13S,14S,17S)-3-(fluoromethyl)-17-(3-imidazol-1-ylprop-1-en-2-yl)-13-methyl-2,4,7,8,9,10,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol;(3S,8R,9S,10R,13S,14S,17S)-17-(3-imidazol-1-ylprop-1-en-2-yl)-3-(methoxymethyl)-13-methyl-2,4,7,8,9,10,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol
• PubChem CID: 157332063
• Molecular Formula: C131H178ClF3N10O6
• Molecular Weight: 2081.38 g/mol
• Exact Mass: 2079.36
• IUPAC Name: (3S,8R,9S,10R,13S,14S,17S)-3-(2-chloroethynyl)-17-(3-imidazol-1-ylprop-1-en-2-yl)-13-methyl-2,4,7,8,9,10,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol;(3S,8R,9S,10R,13S,14S,17S)-3-(2-cyclopropylethynyl)-17-(3-imidazol-1-ylprop-1-en-2-yl)-13-methyl-2,4,7,8,9,10,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol;(3S,8R,9S,10R,13S,14S,17S)-3-(difluoromethyl)-17-(3-imidazol-1-ylprop-1-en-2-yl)-13-methyl-2,4,7,8,9,10,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol;(3S,8R,9S,10R,13S,14S,17S)-3-(fluoromethyl)-17-(3-imidazol-1-ylprop-1-en-2-yl)-13-methyl-2,4,7,8,9,10,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol;(3S,8R,9S,10R,13S,14S,17S)-17-(3-imidazol-1-ylprop-1-en-2-yl)-3-(methoxymethyl)-13-methyl-2,4,7,8,9,10,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol
• SMILES: C=C(Cn1ccnc1)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@](O)(C#CC5CC5)CC[C@@H]4[C@H]3CC[C@]12C.C=C(Cn1ccnc1)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@](O)(C#CCl)CC[C@@H]4[C@H]3CC[C@]12C.C=C(Cn1ccnc1)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@](O)(C(F)F)CC[C@@H]4[C@H]3CC[C@]12C.C=C(Cn1ccnc1)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@](O)(CF)CC[C@@H]4[C@H]3CC[C@]12C.C=C(Cn1ccnc1)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@](O)(COC)CC[C@@H]4[C@H]3CC[C@]12C
• InChI: InChI=1S/C29H38N2O.C26H33ClN2O.C26H38N2O2.C25H34F2N2O.C25H35FN2O/c1-20(18-31-16-15-30-19-31)26-7-8-27-25-6-5-22-17-29(32,13-9-21-3-4-21)14-11-23(22)24(25)10-12-28(26,27)2;1-18(16-29-14-13-28-17-29)23-5-6-24-22-4-3-19-15-26(30,11-12-27)10-8-20(19)21(22)7-9-25(23,24)2;1-18(15-28-13-12-27-17-28)23-6-7-24-22-5-4-19-14-26(29,16-30-3)11-9-20(19)21(22)8-10-25(23,24)2;1-16(14-29-12-11-28-15-29)21-5-6-22-20-4-3-17-13-25(30,23(26)27)10-8-18(17)19(20)7-9-24(21,22)2;1-17(14-28-12-11-27-16-28)22-5-6-23-21-4-3-18-13-25(29,15-26)10-8-19(18)20(21)7-9-24(22,23)2/h5,15-16,19,21,23-27,32H,1,3-4,6-8,10-12,14,17-18H2,2H3;3,13-14,17,20-24,30H,1,4-10,15-16H2,2H3;4,12-13,17,20-24,29H,1,5-11,14-16H2,2-3H3;3,11-12,15,18-23,30H,1,4-10,13-14H2,2H3;3,11-12,16,19-23,29H,1,4-10,13-15H2,2H3/t23-,24+,25+,26+,27-,28+,29-;20-,21+,22+,23+,24-,25+,26+;20-,21+,22+,23+,24-,25+,26-;18-,19+,20+,21+,22-,24+,25-;19-,20+,21+,22+,23-,24+,25-/m00000/s1
• InChIKey: BFKCTEGMAQMGRS-MSRHGYQGSA-N
• XLogP: 27.29
• TPSA: 199.48 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 16
• Rotatable Bonds: 19
• Heavy Atoms: 151
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2081.38
LogP ≤ 5	27.29
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	16

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (3S,8R,9S,10R,13S,14S,17S)-3-(2-chloroethynyl)-17-(3-imidazol-1-ylprop-1-en-2-yl)-13-methyl-2,4,7,8,9,10,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol;(3S,8R,9S,10R,13S,14S,17S)-3-(2-cyclopropylethynyl)-17-(3-imidazol-1-ylprop-1-en-2-yl)-13-methyl-2,4,7,8,9,10,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol;(3S,8R,9S,10R,13S,14S,17S)-3-(difluoromethyl)-17-(3-imidazol-1-ylprop-1-en-2-yl)-13-methyl-2,4,7,8,9,10,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol;(3S,8R,9S,10R,13S,14S,17S)-3-(fluoromethyl)-17-(3-imidazol-1-ylprop-1-en-2-yl)-13-methyl-2,4,7,8,9,10,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol;(3S,8R,9S,10R,13S,14S,17S)-17-(3-imidazol-1-ylprop-1-en-2-yl)-3-(methoxymethyl)-13-methyl-2,4,7,8,9,10,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol?

The IUPAC name of (3S,8R,9S,10R,13S,14S,17S)-3-(2-chloroethynyl)-17-(3-imidazol-1-ylprop-1-en-2-yl)-13-methyl-2,4,7,8,9,10,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol;(3S,8R,9S,10R,13S,14S,17S)-3-(2-cyclopropylethynyl)-17-(3-imidazol-1-ylprop-1-en-2-yl)-13-methyl-2,4,7,8,9,10,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol;(3S,8R,9S,10R,13S,14S,17S)-3-(difluoromethyl)-17-(3-imidazol-1-ylprop-1-en-2-yl)-13-methyl-2,4,7,8,9,10,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol;(3S,8R,9S,10R,13S,14S,17S)-3-(fluoromethyl)-17-(3-imidazol-1-ylprop-1-en-2-yl)-13-methyl-2,4,7,8,9,10,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol;(3S,8R,9S,10R,13S,14S,17S)-17-(3-imidazol-1-ylprop-1-en-2-yl)-3-(methoxymethyl)-13-methyl-2,4,7,8,9,10,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol (CID 157332063) is (3S,8R,9S,10R,13S,14S,17S)-3-(2-chloroethynyl)-17-(3-imidazol-1-ylprop-1-en-2-yl)-13-methyl-2,4,7,8,9,10,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol;(3S,8R,9S,10R,13S,14S,17S)-3-(2-cyclopropylethynyl)-17-(3-imidazol-1-ylprop-1-en-2-yl)-13-methyl-2,4,7,8,9,10,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol;(3S,8R,9S,10R,13S,14S,17S)-3-(difluoromethyl)-17-(3-imidazol-1-ylprop-1-en-2-yl)-13-methyl-2,4,7,8,9,10,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol;(3S,8R,9S,10R,13S,14S,17S)-3-(fluoromethyl)-17-(3-imidazol-1-ylprop-1-en-2-yl)-13-methyl-2,4,7,8,9,10,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol;(3S,8R,9S,10R,13S,14S,17S)-17-(3-imidazol-1-ylprop-1-en-2-yl)-3-(methoxymethyl)-13-methyl-2,4,7,8,9,10,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol.

What is the SMILES notation for (3S,8R,9S,10R,13S,14S,17S)-3-(2-chloroethynyl)-17-(3-imidazol-1-ylprop-1-en-2-yl)-13-methyl-2,4,7,8,9,10,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol;(3S,8R,9S,10R,13S,14S,17S)-3-(2-cyclopropylethynyl)-17-(3-imidazol-1-ylprop-1-en-2-yl)-13-methyl-2,4,7,8,9,10,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol;(3S,8R,9S,10R,13S,14S,17S)-3-(difluoromethyl)-17-(3-imidazol-1-ylprop-1-en-2-yl)-13-methyl-2,4,7,8,9,10,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol;(3S,8R,9S,10R,13S,14S,17S)-3-(fluoromethyl)-17-(3-imidazol-1-ylprop-1-en-2-yl)-13-methyl-2,4,7,8,9,10,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol;(3S,8R,9S,10R,13S,14S,17S)-17-(3-imidazol-1-ylprop-1-en-2-yl)-3-(methoxymethyl)-13-methyl-2,4,7,8,9,10,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol?

The canonical SMILES for (3S,8R,9S,10R,13S,14S,17S)-3-(2-chloroethynyl)-17-(3-imidazol-1-ylprop-1-en-2-yl)-13-methyl-2,4,7,8,9,10,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol;(3S,8R,9S,10R,13S,14S,17S)-3-(2-cyclopropylethynyl)-17-(3-imidazol-1-ylprop-1-en-2-yl)-13-methyl-2,4,7,8,9,10,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol;(3S,8R,9S,10R,13S,14S,17S)-3-(difluoromethyl)-17-(3-imidazol-1-ylprop-1-en-2-yl)-13-methyl-2,4,7,8,9,10,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol;(3S,8R,9S,10R,13S,14S,17S)-3-(fluoromethyl)-17-(3-imidazol-1-ylprop-1-en-2-yl)-13-methyl-2,4,7,8,9,10,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol;(3S,8R,9S,10R,13S,14S,17S)-17-(3-imidazol-1-ylprop-1-en-2-yl)-3-(methoxymethyl)-13-methyl-2,4,7,8,9,10,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol is C=C(Cn1ccnc1)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@](O)(C#CC5CC5)CC[C@@H]4[C@H]3CC[C@]12C.C=C(Cn1ccnc1)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@](O)(C#CCl)CC[C@@H]4[C@H]3CC[C@]12C.C=C(Cn1ccnc1)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@](O)(C(F)F)CC[C@@H]4[C@H]3CC[C@]12C.C=C(Cn1ccnc1)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@](O)(CF)CC[C@@H]4[C@H]3CC[C@]12C.C=C(Cn1ccnc1)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@](O)(COC)CC[C@@H]4[C@H]3CC[C@]12C.

What is the InChIKey of (3S,8R,9S,10R,13S,14S,17S)-3-(2-chloroethynyl)-17-(3-imidazol-1-ylprop-1-en-2-yl)-13-methyl-2,4,7,8,9,10,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol;(3S,8R,9S,10R,13S,14S,17S)-3-(2-cyclopropylethynyl)-17-(3-imidazol-1-ylprop-1-en-2-yl)-13-methyl-2,4,7,8,9,10,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol;(3S,8R,9S,10R,13S,14S,17S)-3-(difluoromethyl)-17-(3-imidazol-1-ylprop-1-en-2-yl)-13-methyl-2,4,7,8,9,10,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol;(3S,8R,9S,10R,13S,14S,17S)-3-(fluoromethyl)-17-(3-imidazol-1-ylprop-1-en-2-yl)-13-methyl-2,4,7,8,9,10,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol;(3S,8R,9S,10R,13S,14S,17S)-17-(3-imidazol-1-ylprop-1-en-2-yl)-3-(methoxymethyl)-13-methyl-2,4,7,8,9,10,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol?

The InChIKey is BFKCTEGMAQMGRS-MSRHGYQGSA-N. The full InChI is InChI=1S/C29H38N2O.C26H33ClN2O.C26H38N2O2.C25H34F2N2O.C25H35FN2O/c1-20(18-31-16-15-30-19-31)26-7-8-27-25-6-5-22-17-29(32,13-9-21-3-4-21)14-11-23(22)24(25)10-12-28(26,27)2;1-18(16-29-14-13-28-17-29)23-5-6-24-22-4-3-19-15-26(30,11-12-27)10-8-20(19)21(22)7-9-25(23,24)2;1-18(15-28-13-12-27-17-28)23-6-7-24-22-5-4-19-14-26(29,16-30-3)11-9-20(19)21(22)8-10-25(23,24)2;1-16(14-29-12-11-28-15-29)21-5-6-22-20-4-3-17-13-25(30,23(26)27)10-8-18(17)19(20)7-9-24(21,22)2;1-17(14-28-12-11-27-16-28)22-5-6-23-21-4-3-18-13-25(29,15-26)10-8-19(18)20(21)7-9-24(22,23)2/h5,15-16,19,21,23-27,32H,1,3-4,6-8,10-12,14,17-18H2,2H3;3,13-14,17,20-24,30H,1,4-10,15-16H2,2H3;4,12-13,17,20-24,29H,1,5-11,14-16H2,2-3H3;3,11-12,15,18-23,30H,1,4-10,13-14H2,2H3;3,11-12,16,19-23,29H,1,4-10,13-15H2,2H3/t23-,24+,25+,26+,27-,28+,29-;20-,21+,22+,23+,24-,25+,26+;20-,21+,22+,23+,24-,25+,26-;18-,19+,20+,21+,22-,24+,25-;19-,20+,21+,22+,23-,24+,25-/m00000/s1.

What are the key properties of (3S,8R,9S,10R,13S,14S,17S)-3-(2-chloroethynyl)-17-(3-imidazol-1-ylprop-1-en-2-yl)-13-methyl-2,4,7,8,9,10,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol;(3S,8R,9S,10R,13S,14S,17S)-3-(2-cyclopropylethynyl)-17-(3-imidazol-1-ylprop-1-en-2-yl)-13-methyl-2,4,7,8,9,10,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol;(3S,8R,9S,10R,13S,14S,17S)-3-(difluoromethyl)-17-(3-imidazol-1-ylprop-1-en-2-yl)-13-methyl-2,4,7,8,9,10,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol;(3S,8R,9S,10R,13S,14S,17S)-3-(fluoromethyl)-17-(3-imidazol-1-ylprop-1-en-2-yl)-13-methyl-2,4,7,8,9,10,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol;(3S,8R,9S,10R,13S,14S,17S)-17-(3-imidazol-1-ylprop-1-en-2-yl)-3-(methoxymethyl)-13-methyl-2,4,7,8,9,10,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol?

(3S,8R,9S,10R,13S,14S,17S)-3-(2-chloroethynyl)-17-(3-imidazol-1-ylprop-1-en-2-yl)-13-methyl-2,4,7,8,9,10,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol;(3S,8R,9S,10R,13S,14S,17S)-3-(2-cyclopropylethynyl)-17-(3-imidazol-1-ylprop-1-en-2-yl)-13-methyl-2,4,7,8,9,10,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol;(3S,8R,9S,10R,13S,14S,17S)-3-(difluoromethyl)-17-(3-imidazol-1-ylprop-1-en-2-yl)-13-methyl-2,4,7,8,9,10,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol;(3S,8R,9S,10R,13S,14S,17S)-3-(fluoromethyl)-17-(3-imidazol-1-ylprop-1-en-2-yl)-13-methyl-2,4,7,8,9,10,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol;(3S,8R,9S,10R,13S,14S,17S)-17-(3-imidazol-1-ylprop-1-en-2-yl)-3-(methoxymethyl)-13-methyl-2,4,7,8,9,10,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol has a molecular weight of 2081.38 g/mol, XLogP of 27.29, 19 rotatable bonds, 5 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for (3S,8R,9S,10R,13S,14S,17S)-3-(2-chloroethynyl)-17-(3-imidazol-1-ylprop-1-en-2-yl)-13-methyl-2,4,7,8,9,10,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol;(3S,8R,9S,10R,13S,14S,17S)-3-(2-cyclopropylethynyl)-17-(3-imidazol-1-ylprop-1-en-2-yl)-13-methyl-2,4,7,8,9,10,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol;(3S,8R,9S,10R,13S,14S,17S)-3-(difluoromethyl)-17-(3-imidazol-1-ylprop-1-en-2-yl)-13-methyl-2,4,7,8,9,10,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol;(3S,8R,9S,10R,13S,14S,17S)-3-(fluoromethyl)-17-(3-imidazol-1-ylprop-1-en-2-yl)-13-methyl-2,4,7,8,9,10,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol;(3S,8R,9S,10R,13S,14S,17S)-17-(3-imidazol-1-ylprop-1-en-2-yl)-3-(methoxymethyl)-13-methyl-2,4,7,8,9,10,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol is sourced from PubChem (CID 157332063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).