1-[(3R,5R,10S,13S,17S)-3-(2-chloroethynyl)-3-hydroxy-13-methyl-2,4,5,6,7,8,9,10,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-methylsulfonylsulfanylethanone;1-[(3R,5R,10S,13S,17S)-3-ethyl-3-hydroxy-13-methyl-2,4,5,6,7,8,9,10,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-methylsulfonylsulfanylethanone;1-[(3R,5R,10S,13S,17S)-3-(fluoromethyl)-3-hydroxy-13-methyl-2,4,5,6,7,8,9,10,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-methylsulfonylsulfanylethanone;1-[(3R,5R,10S,13S,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-methylsulfonylsulfanylethanone;1-[(3R,5R,10S,13S,17S)-3-hydroxy-13-methyl-3-prop-1-ynyl-2,4,5,6,7,8,9,10,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-methylsulfonylsulfanylethanone

C114H178ClFO20S10 — CID 159198693

About 1-[(3R,5R,10S,13S,17S)-3-(2-chloroethynyl)-3-hydroxy-13-methyl-2,4,5,6,7,8,9,10,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-methylsulfonylsulfanylethanone;1-[(3R,5R,10S,13S,17S)-3-ethyl-3-hydroxy-13-methyl-2,4,5,6,7,8,9,10,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-methylsulfonylsulfanylethanone;1-[(3R,5R,10S,13S,17S)-3-(fluoromethyl)-3-hydroxy-13-methyl-2,4,5,6,7,8,9,10,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-methylsulfonylsulfanylethanone;1-[(3R,5R,10S,13S,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-methylsulfonylsulfanylethanone;1-[(3R,5R,10S,13S,17S)-3-hydroxy-13-methyl-3-prop-1-ynyl-2,4,5,6,7,8,9,10,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-methylsulfonylsulfanylethanone

1-[(3R,5R,10S,13S,17S)-3-(2-chloroethynyl)-3-hydroxy-13-methyl-2,4,5,6,7,8,9,10,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-methylsulfonylsulfanylethanone;1-[(3R,5R,10S,13S,17S)-3-ethyl-3-hydroxy-13-methyl-2,4,5,6,7,8,9,10,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-methylsulfonylsulfanylethanone;1-[(3R,5R,10S,13S,17S)-3-(fluoromethyl)-3-hydroxy-13-methyl-2,4,5,6,7,8,9,10,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-methylsulfonylsulfanylethanone;1-[(3R,5R,10S,13S,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-methylsulfonylsulfanylethanone;1-[(3R,5R,10S,13S,17S)-3-hydroxy-13-methyl-3-prop-1-ynyl-2,4,5,6,7,8,9,10,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-methylsulfonylsulfanylethanone (PubChem CID 159198693) has the molecular formula C114H178ClFO20S10 and a molecular weight of 2243.78 g/mol. Its IUPAC name is 1-[(3R,5R,10S,13S,17S)-3-(2-chloroethynyl)-3-hydroxy-13-methyl-2,4,5,6,7,8,9,10,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-methylsulfonylsulfanylethanone;1-[(3R,5R,10S,13S,17S)-3-ethyl-3-hydroxy-13-methyl-2,4,5,6,7,8,9,10,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-methylsulfonylsulfanylethanone;1-[(3R,5R,10S,13S,17S)-3-(fluoromethyl)-3-hydroxy-13-methyl-2,4,5,6,7,8,9,10,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-methylsulfonylsulfanylethanone;1-[(3R,5R,10S,13S,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-methylsulfonylsulfanylethanone;1-[(3R,5R,10S,13S,17S)-3-hydroxy-13-methyl-3-prop-1-ynyl-2,4,5,6,7,8,9,10,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-methylsulfonylsulfanylethanone.

Molecular Properties

• Compound Name: 1-[(3R,5R,10S,13S,17S)-3-(2-chloroethynyl)-3-hydroxy-13-methyl-2,4,5,6,7,8,9,10,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-methylsulfonylsulfanylethanone;1-[(3R,5R,10S,13S,17S)-3-ethyl-3-hydroxy-13-methyl-2,4,5,6,7,8,9,10,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-methylsulfonylsulfanylethanone;1-[(3R,5R,10S,13S,17S)-3-(fluoromethyl)-3-hydroxy-13-methyl-2,4,5,6,7,8,9,10,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-methylsulfonylsulfanylethanone;1-[(3R,5R,10S,13S,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-methylsulfonylsulfanylethanone;1-[(3R,5R,10S,13S,17S)-3-hydroxy-13-methyl-3-prop-1-ynyl-2,4,5,6,7,8,9,10,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-methylsulfonylsulfanylethanone
• PubChem CID: 159198693
• Molecular Formula: C114H178ClFO20S10
• Molecular Weight: 2243.78 g/mol
• Exact Mass: 2240.98
• IUPAC Name: 1-[(3R,5R,10S,13S,17S)-3-(2-chloroethynyl)-3-hydroxy-13-methyl-2,4,5,6,7,8,9,10,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-methylsulfonylsulfanylethanone;1-[(3R,5R,10S,13S,17S)-3-ethyl-3-hydroxy-13-methyl-2,4,5,6,7,8,9,10,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-methylsulfonylsulfanylethanone;1-[(3R,5R,10S,13S,17S)-3-(fluoromethyl)-3-hydroxy-13-methyl-2,4,5,6,7,8,9,10,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-methylsulfonylsulfanylethanone;1-[(3R,5R,10S,13S,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-methylsulfonylsulfanylethanone;1-[(3R,5R,10S,13S,17S)-3-hydroxy-13-methyl-3-prop-1-ynyl-2,4,5,6,7,8,9,10,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-methylsulfonylsulfanylethanone
• SMILES: CC#C[C@@]1(O)CC[C@@H]2C3CC[C@@]4(C)C(CC[C@@H]4C(=O)CSS(C)(=O)=O)C3CC[C@@H]2C1.CC[C@@]1(O)CC[C@@H]2C3CC[C@@]4(C)C(CC[C@@H]4C(=O)CSS(C)(=O)=O)C3CC[C@@H]2C1.C[C@@]1(O)CC[C@@H]2C3CC[C@@]4(C)C(CC[C@@H]4C(=O)CSS(C)(=O)=O)C3CC[C@@H]2C1.C[C@]12CCC3C(CC[C@@H]4C[C@@](O)(C#CCl)CC[C@H]34)C1CC[C@@H]2C(=O)CSS(C)(=O)=O.C[C@]12CCC3C(CC[C@@H]4C[C@@](O)(CF)CC[C@H]34)C1CC[C@@H]2C(=O)CSS(C)(=O)=O
• InChI: InChI=1S/C24H36O4S2.C23H33ClO4S2.C23H38O4S2.C22H35FO4S2.C22H36O4S2/c1-4-11-24(26)13-10-17-16(14-24)5-6-19-18(17)9-12-23(2)20(19)7-8-21(23)22(25)15-29-30(3,27)28;1-22-9-7-17-16-8-10-23(26,11-12-24)13-15(16)3-4-18(17)19(22)5-6-20(22)21(25)14-29-30(2,27)28;1-4-23(25)12-10-16-15(13-23)5-6-18-17(16)9-11-22(2)19(18)7-8-20(22)21(24)14-28-29(3,26)27;1-21-9-7-16-15-8-10-22(25,13-23)11-14(15)3-4-17(16)18(21)5-6-19(21)20(24)12-28-29(2,26)27;1-21(24)10-8-15-14(12-21)4-5-17-16(15)9-11-22(2)18(17)6-7-19(22)20(23)13-27-28(3,25)26/h16-21,26H,5-10,12-15H2,1-3H3;15-20,26H,3-10,13-14H2,1-2H3;15-20,25H,4-14H2,1-3H3;14-19,25H,3-13H2,1-2H3;14-19,24H,4-13H2,1-3H3/t16-,17+,18?,19?,20?,21-,23+,24-;15-,16+,17?,18?,19?,20-,22+,23+;15-,16+,17?,18?,19?,20-,22+,23-;14-,15+,16?,17?,18?,19-,21+,22-;14-,15+,16?,17?,18?,19-,21-,22+/m11111/s1
• InChIKey: KOZPSHTVCMJSFU-NKVUJXITSA-N
• XLogP: 21.86
• TPSA: 357.20 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 25
• Rotatable Bonds: 22
• Heavy Atoms: 146
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2243.78
LogP ≤ 5	21.86
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	25

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1-[(3R,5R,10S,13S,17S)-3-(2-chloroethynyl)-3-hydroxy-13-methyl-2,4,5,6,7,8,9,10,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-methylsulfonylsulfanylethanone;1-[(3R,5R,10S,13S,17S)-3-ethyl-3-hydroxy-13-methyl-2,4,5,6,7,8,9,10,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-methylsulfonylsulfanylethanone;1-[(3R,5R,10S,13S,17S)-3-(fluoromethyl)-3-hydroxy-13-methyl-2,4,5,6,7,8,9,10,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-methylsulfonylsulfanylethanone;1-[(3R,5R,10S,13S,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-methylsulfonylsulfanylethanone;1-[(3R,5R,10S,13S,17S)-3-hydroxy-13-methyl-3-prop-1-ynyl-2,4,5,6,7,8,9,10,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-methylsulfonylsulfanylethanone?

The IUPAC name of 1-[(3R,5R,10S,13S,17S)-3-(2-chloroethynyl)-3-hydroxy-13-methyl-2,4,5,6,7,8,9,10,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-methylsulfonylsulfanylethanone;1-[(3R,5R,10S,13S,17S)-3-ethyl-3-hydroxy-13-methyl-2,4,5,6,7,8,9,10,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-methylsulfonylsulfanylethanone;1-[(3R,5R,10S,13S,17S)-3-(fluoromethyl)-3-hydroxy-13-methyl-2,4,5,6,7,8,9,10,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-methylsulfonylsulfanylethanone;1-[(3R,5R,10S,13S,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-methylsulfonylsulfanylethanone;1-[(3R,5R,10S,13S,17S)-3-hydroxy-13-methyl-3-prop-1-ynyl-2,4,5,6,7,8,9,10,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-methylsulfonylsulfanylethanone (CID 159198693) is 1-[(3R,5R,10S,13S,17S)-3-(2-chloroethynyl)-3-hydroxy-13-methyl-2,4,5,6,7,8,9,10,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-methylsulfonylsulfanylethanone;1-[(3R,5R,10S,13S,17S)-3-ethyl-3-hydroxy-13-methyl-2,4,5,6,7,8,9,10,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-methylsulfonylsulfanylethanone;1-[(3R,5R,10S,13S,17S)-3-(fluoromethyl)-3-hydroxy-13-methyl-2,4,5,6,7,8,9,10,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-methylsulfonylsulfanylethanone;1-[(3R,5R,10S,13S,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-methylsulfonylsulfanylethanone;1-[(3R,5R,10S,13S,17S)-3-hydroxy-13-methyl-3-prop-1-ynyl-2,4,5,6,7,8,9,10,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-methylsulfonylsulfanylethanone.

What is the SMILES notation for 1-[(3R,5R,10S,13S,17S)-3-(2-chloroethynyl)-3-hydroxy-13-methyl-2,4,5,6,7,8,9,10,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-methylsulfonylsulfanylethanone;1-[(3R,5R,10S,13S,17S)-3-ethyl-3-hydroxy-13-methyl-2,4,5,6,7,8,9,10,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-methylsulfonylsulfanylethanone;1-[(3R,5R,10S,13S,17S)-3-(fluoromethyl)-3-hydroxy-13-methyl-2,4,5,6,7,8,9,10,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-methylsulfonylsulfanylethanone;1-[(3R,5R,10S,13S,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-methylsulfonylsulfanylethanone;1-[(3R,5R,10S,13S,17S)-3-hydroxy-13-methyl-3-prop-1-ynyl-2,4,5,6,7,8,9,10,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-methylsulfonylsulfanylethanone?

The canonical SMILES for 1-[(3R,5R,10S,13S,17S)-3-(2-chloroethynyl)-3-hydroxy-13-methyl-2,4,5,6,7,8,9,10,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-methylsulfonylsulfanylethanone;1-[(3R,5R,10S,13S,17S)-3-ethyl-3-hydroxy-13-methyl-2,4,5,6,7,8,9,10,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-methylsulfonylsulfanylethanone;1-[(3R,5R,10S,13S,17S)-3-(fluoromethyl)-3-hydroxy-13-methyl-2,4,5,6,7,8,9,10,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-methylsulfonylsulfanylethanone;1-[(3R,5R,10S,13S,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-methylsulfonylsulfanylethanone;1-[(3R,5R,10S,13S,17S)-3-hydroxy-13-methyl-3-prop-1-ynyl-2,4,5,6,7,8,9,10,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-methylsulfonylsulfanylethanone is CC#C[C@@]1(O)CC[C@@H]2C3CC[C@@]4(C)C(CC[C@@H]4C(=O)CSS(C)(=O)=O)C3CC[C@@H]2C1.CC[C@@]1(O)CC[C@@H]2C3CC[C@@]4(C)C(CC[C@@H]4C(=O)CSS(C)(=O)=O)C3CC[C@@H]2C1.C[C@@]1(O)CC[C@@H]2C3CC[C@@]4(C)C(CC[C@@H]4C(=O)CSS(C)(=O)=O)C3CC[C@@H]2C1.C[C@]12CCC3C(CC[C@@H]4C[C@@](O)(C#CCl)CC[C@H]34)C1CC[C@@H]2C(=O)CSS(C)(=O)=O.C[C@]12CCC3C(CC[C@@H]4C[C@@](O)(CF)CC[C@H]34)C1CC[C@@H]2C(=O)CSS(C)(=O)=O.

What is the InChIKey of 1-[(3R,5R,10S,13S,17S)-3-(2-chloroethynyl)-3-hydroxy-13-methyl-2,4,5,6,7,8,9,10,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-methylsulfonylsulfanylethanone;1-[(3R,5R,10S,13S,17S)-3-ethyl-3-hydroxy-13-methyl-2,4,5,6,7,8,9,10,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-methylsulfonylsulfanylethanone;1-[(3R,5R,10S,13S,17S)-3-(fluoromethyl)-3-hydroxy-13-methyl-2,4,5,6,7,8,9,10,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-methylsulfonylsulfanylethanone;1-[(3R,5R,10S,13S,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-methylsulfonylsulfanylethanone;1-[(3R,5R,10S,13S,17S)-3-hydroxy-13-methyl-3-prop-1-ynyl-2,4,5,6,7,8,9,10,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-methylsulfonylsulfanylethanone?

The InChIKey is KOZPSHTVCMJSFU-NKVUJXITSA-N. The full InChI is InChI=1S/C24H36O4S2.C23H33ClO4S2.C23H38O4S2.C22H35FO4S2.C22H36O4S2/c1-4-11-24(26)13-10-17-16(14-24)5-6-19-18(17)9-12-23(2)20(19)7-8-21(23)22(25)15-29-30(3,27)28;1-22-9-7-17-16-8-10-23(26,11-12-24)13-15(16)3-4-18(17)19(22)5-6-20(22)21(25)14-29-30(2,27)28;1-4-23(25)12-10-16-15(13-23)5-6-18-17(16)9-11-22(2)19(18)7-8-20(22)21(24)14-28-29(3,26)27;1-21-9-7-16-15-8-10-22(25,13-23)11-14(15)3-4-17(16)18(21)5-6-19(21)20(24)12-28-29(2,26)27;1-21(24)10-8-15-14(12-21)4-5-17-16(15)9-11-22(2)18(17)6-7-19(22)20(23)13-27-28(3,25)26/h16-21,26H,5-10,12-15H2,1-3H3;15-20,26H,3-10,13-14H2,1-2H3;15-20,25H,4-14H2,1-3H3;14-19,25H,3-13H2,1-2H3;14-19,24H,4-13H2,1-3H3/t16-,17+,18?,19?,20?,21-,23+,24-;15-,16+,17?,18?,19?,20-,22+,23+;15-,16+,17?,18?,19?,20-,22+,23-;14-,15+,16?,17?,18?,19-,21+,22-;14-,15+,16?,17?,18?,19-,21-,22+/m11111/s1.

What are the key properties of 1-[(3R,5R,10S,13S,17S)-3-(2-chloroethynyl)-3-hydroxy-13-methyl-2,4,5,6,7,8,9,10,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-methylsulfonylsulfanylethanone;1-[(3R,5R,10S,13S,17S)-3-ethyl-3-hydroxy-13-methyl-2,4,5,6,7,8,9,10,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-methylsulfonylsulfanylethanone;1-[(3R,5R,10S,13S,17S)-3-(fluoromethyl)-3-hydroxy-13-methyl-2,4,5,6,7,8,9,10,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-methylsulfonylsulfanylethanone;1-[(3R,5R,10S,13S,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-methylsulfonylsulfanylethanone;1-[(3R,5R,10S,13S,17S)-3-hydroxy-13-methyl-3-prop-1-ynyl-2,4,5,6,7,8,9,10,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-methylsulfonylsulfanylethanone?

1-[(3R,5R,10S,13S,17S)-3-(2-chloroethynyl)-3-hydroxy-13-methyl-2,4,5,6,7,8,9,10,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-methylsulfonylsulfanylethanone;1-[(3R,5R,10S,13S,17S)-3-ethyl-3-hydroxy-13-methyl-2,4,5,6,7,8,9,10,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-methylsulfonylsulfanylethanone;1-[(3R,5R,10S,13S,17S)-3-(fluoromethyl)-3-hydroxy-13-methyl-2,4,5,6,7,8,9,10,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-methylsulfonylsulfanylethanone;1-[(3R,5R,10S,13S,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-methylsulfonylsulfanylethanone;1-[(3R,5R,10S,13S,17S)-3-hydroxy-13-methyl-3-prop-1-ynyl-2,4,5,6,7,8,9,10,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-methylsulfonylsulfanylethanone has a molecular weight of 2243.78 g/mol, XLogP of 21.86, 22 rotatable bonds, 5 hydrogen bond donors, and 25 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[(3R,5R,10S,13S,17S)-3-(2-chloroethynyl)-3-hydroxy-13-methyl-2,4,5,6,7,8,9,10,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-methylsulfonylsulfanylethanone;1-[(3R,5R,10S,13S,17S)-3-ethyl-3-hydroxy-13-methyl-2,4,5,6,7,8,9,10,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-methylsulfonylsulfanylethanone;1-[(3R,5R,10S,13S,17S)-3-(fluoromethyl)-3-hydroxy-13-methyl-2,4,5,6,7,8,9,10,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-methylsulfonylsulfanylethanone;1-[(3R,5R,10S,13S,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-methylsulfonylsulfanylethanone;1-[(3R,5R,10S,13S,17S)-3-hydroxy-13-methyl-3-prop-1-ynyl-2,4,5,6,7,8,9,10,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-methylsulfonylsulfanylethanone is sourced from PubChem (CID 159198693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).