[(10S,13R)-17-[5-[tert-butyl(dimethyl)silyl]oxy-5-oxopentan-2-yl]-7-hydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl] 2,2-dimethylbutanoate;[(10S,13R)-17-[5-(1-ethoxyethoxy)-5-oxopentan-2-yl]-7-hydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl] 2,2-dimethylbutanoate;[(10S,13R)-7-hydroxy-10,13-dimethyl-17-[5-[3-[(2-methylpropan-2-yl)oxy]-3-oxopropoxy]-5-oxopentan-2-yl]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl] 2,2-dimethylbutanoate;[(10S,13R)-7-hydroxy-17-[5-[1-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]-5-oxopentan-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-yl] 2,2-dimethylbutanoate;[(10S,13R)-7-hydroxy-17-[5-(1-methoxy-2-methylpropan-2-yl)oxy-5-oxopentan-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-yl] 2,2-dimethylbutanoate;methane

C191H352O33Si — CID 159309444

About [(10S,13R)-17-[5-[tert-butyl(dimethyl)silyl]oxy-5-oxopentan-2-yl]-7-hydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl] 2,2-dimethylbutanoate;[(10S,13R)-17-[5-(1-ethoxyethoxy)-5-oxopentan-2-yl]-7-hydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl] 2,2-dimethylbutanoate;[(10S,13R)-7-hydroxy-10,13-dimethyl-17-[5-[3-[(2-methylpropan-2-yl)oxy]-3-oxopropoxy]-5-oxopentan-2-yl]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl] 2,2-dimethylbutanoate;[(10S,13R)-7-hydroxy-17-[5-[1-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]-5-oxopentan-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-yl] 2,2-dimethylbutanoate;[(10S,13R)-7-hydroxy-17-[5-(1-methoxy-2-methylpropan-2-yl)oxy-5-oxopentan-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-yl] 2,2-dimethylbutanoate;methane

[(10S,13R)-17-[5-[tert-butyl(dimethyl)silyl]oxy-5-oxopentan-2-yl]-7-hydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl] 2,2-dimethylbutanoate;[(10S,13R)-17-[5-(1-ethoxyethoxy)-5-oxopentan-2-yl]-7-hydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl] 2,2-dimethylbutanoate;[(10S,13R)-7-hydroxy-10,13-dimethyl-17-[5-[3-[(2-methylpropan-2-yl)oxy]-3-oxopropoxy]-5-oxopentan-2-yl]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl] 2,2-dimethylbutanoate;[(10S,13R)-7-hydroxy-17-[5-[1-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]-5-oxopentan-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-yl] 2,2-dimethylbutanoate;[(10S,13R)-7-hydroxy-17-[5-(1-methoxy-2-methylpropan-2-yl)oxy-5-oxopentan-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-yl] 2,2-dimethylbutanoate;methane (PubChem CID 159309444) has the molecular formula C191H352O33Si and a molecular weight of 3204.97 g/mol. Its IUPAC name is [(10S,13R)-17-[5-[tert-butyl(dimethyl)silyl]oxy-5-oxopentan-2-yl]-7-hydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl] 2,2-dimethylbutanoate;[(10S,13R)-17-[5-(1-ethoxyethoxy)-5-oxopentan-2-yl]-7-hydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl] 2,2-dimethylbutanoate;[(10S,13R)-7-hydroxy-10,13-dimethyl-17-[5-[3-[(2-methylpropan-2-yl)oxy]-3-oxopropoxy]-5-oxopentan-2-yl]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl] 2,2-dimethylbutanoate;[(10S,13R)-7-hydroxy-17-[5-[1-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]-5-oxopentan-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-yl] 2,2-dimethylbutanoate;[(10S,13R)-7-hydroxy-17-[5-(1-methoxy-2-methylpropan-2-yl)oxy-5-oxopentan-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-yl] 2,2-dimethylbutanoate;methane.

Molecular Properties

• Compound Name: [(10S,13R)-17-[5-[tert-butyl(dimethyl)silyl]oxy-5-oxopentan-2-yl]-7-hydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl] 2,2-dimethylbutanoate;[(10S,13R)-17-[5-(1-ethoxyethoxy)-5-oxopentan-2-yl]-7-hydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl] 2,2-dimethylbutanoate;[(10S,13R)-7-hydroxy-10,13-dimethyl-17-[5-[3-[(2-methylpropan-2-yl)oxy]-3-oxopropoxy]-5-oxopentan-2-yl]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl] 2,2-dimethylbutanoate;[(10S,13R)-7-hydroxy-17-[5-[1-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]-5-oxopentan-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-yl] 2,2-dimethylbutanoate;[(10S,13R)-7-hydroxy-17-[5-(1-methoxy-2-methylpropan-2-yl)oxy-5-oxopentan-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-yl] 2,2-dimethylbutanoate;methane
• PubChem CID: 159309444
• Molecular Formula: C191H352O33Si
• Molecular Weight: 3204.97 g/mol
• Exact Mass: 3202.56
• IUPAC Name: [(10S,13R)-17-[5-[tert-butyl(dimethyl)silyl]oxy-5-oxopentan-2-yl]-7-hydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl] 2,2-dimethylbutanoate;[(10S,13R)-17-[5-(1-ethoxyethoxy)-5-oxopentan-2-yl]-7-hydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl] 2,2-dimethylbutanoate;[(10S,13R)-7-hydroxy-10,13-dimethyl-17-[5-[3-[(2-methylpropan-2-yl)oxy]-3-oxopropoxy]-5-oxopentan-2-yl]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl] 2,2-dimethylbutanoate;[(10S,13R)-7-hydroxy-17-[5-[1-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]-5-oxopentan-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-yl] 2,2-dimethylbutanoate;[(10S,13R)-7-hydroxy-17-[5-(1-methoxy-2-methylpropan-2-yl)oxy-5-oxopentan-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-yl] 2,2-dimethylbutanoate;methane
• SMILES: C.C.C.C.C.C.C.C.C.C.CCC(C)(C)C(=O)OC1CC[C@@]2(C)C(C1)CC(O)C1C3CCC(C(C)CCC(=O)OC(C)(C)COC)[C@@]3(C)CCC12.CCC(C)(C)C(=O)OC1CC[C@@]2(C)C(C1)CC(O)C1C3CCC(C(C)CCC(=O)OC(C)OCCOCCOCCOC)[C@@]3(C)CCC12.CCC(C)(C)C(=O)OC1CC[C@@]2(C)C(C1)CC(O)C1C3CCC(C(C)CCC(=O)OCCC(=O)OC(C)(C)C)[C@@]3(C)CCC12.CCC(C)(C)C(=O)OC1CC[C@@]2(C)C(C1)CC(O)C1C3CCC(C(C)CCC(=O)O[Si](C)(C)C(C)(C)C)[C@@]3(C)CCC12.CCOC(C)OC(=O)CCC(C)C1CCC2C3C(O)CC4CC(OC(=O)C(C)(C)CC)CC[C@]4(C)C3CC[C@]12C
• InChI: InChI=1S/C39H68O9.C37H62O7.C36H64O5Si.C35H60O6.C34H58O6.10CH4/c1-9-37(4,5)36(42)48-29-14-16-38(6)28(24-29)25-33(40)35-31-12-11-30(39(31,7)17-15-32(35)38)26(2)10-13-34(41)47-27(3)46-23-22-45-21-20-44-19-18-43-8;1-10-35(6,7)33(41)43-25-15-18-36(8)24(21-25)22-29(38)32-27-13-12-26(37(27,9)19-16-28(32)36)23(2)11-14-30(39)42-20-17-31(40)44-34(3,4)5;1-12-34(6,7)32(39)40-25-17-19-35(8)24(21-25)22-29(37)31-27-15-14-26(36(27,9)20-18-28(31)35)23(2)13-16-30(38)41-42(10,11)33(3,4)5;1-10-32(3,4)31(38)40-24-15-17-34(7)23(19-24)20-28(36)30-26-13-12-25(35(26,8)18-16-27(30)34)22(2)11-14-29(37)41-33(5,6)21-39-9;1-9-32(5,6)31(37)40-24-15-17-33(7)23(19-24)20-28(35)30-26-13-12-25(34(26,8)18-16-27(30)33)21(3)11-14-29(36)39-22(4)38-10-2;;;;;;;;;;/h26-33,35,40H,9-25H2,1-8H3;23-29,32,38H,10-22H2,1-9H3;23-29,31,37H,12-22H2,1-11H3;22-28,30,36H,10-21H2,1-9H3;21-28,30,35H,9-20H2,1-8H3;10*1H4/t26?,27?,28?,29?,30?,31?,32?,33?,35?,38-,39+;23?,24?,25?,26?,27?,28?,29?,32?,36-,37+;23?,24?,25?,26?,27?,28?,29?,31?,35-,36+;22?,23?,24?,25?,26?,27?,28?,30?,34-,35+;21?,22?,23?,24?,25?,26?,27?,28?,30?,33-,34+;;;;;;;;;;/m00000........../s1
• InChIKey: LCIQOLHCEJBRSX-HFYNHDFCSA-N
• XLogP: 44.57
• TPSA: 445.83 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 33
• Rotatable Bonds: 56
• Heavy Atoms: 225
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3204.97
LogP ≤ 5	44.57
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	33

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of [(10S,13R)-17-[5-[tert-butyl(dimethyl)silyl]oxy-5-oxopentan-2-yl]-7-hydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl] 2,2-dimethylbutanoate;[(10S,13R)-17-[5-(1-ethoxyethoxy)-5-oxopentan-2-yl]-7-hydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl] 2,2-dimethylbutanoate;[(10S,13R)-7-hydroxy-10,13-dimethyl-17-[5-[3-[(2-methylpropan-2-yl)oxy]-3-oxopropoxy]-5-oxopentan-2-yl]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl] 2,2-dimethylbutanoate;[(10S,13R)-7-hydroxy-17-[5-[1-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]-5-oxopentan-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-yl] 2,2-dimethylbutanoate;[(10S,13R)-7-hydroxy-17-[5-(1-methoxy-2-methylpropan-2-yl)oxy-5-oxopentan-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-yl] 2,2-dimethylbutanoate;methane?

The IUPAC name of [(10S,13R)-17-[5-[tert-butyl(dimethyl)silyl]oxy-5-oxopentan-2-yl]-7-hydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl] 2,2-dimethylbutanoate;[(10S,13R)-17-[5-(1-ethoxyethoxy)-5-oxopentan-2-yl]-7-hydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl] 2,2-dimethylbutanoate;[(10S,13R)-7-hydroxy-10,13-dimethyl-17-[5-[3-[(2-methylpropan-2-yl)oxy]-3-oxopropoxy]-5-oxopentan-2-yl]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl] 2,2-dimethylbutanoate;[(10S,13R)-7-hydroxy-17-[5-[1-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]-5-oxopentan-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-yl] 2,2-dimethylbutanoate;[(10S,13R)-7-hydroxy-17-[5-(1-methoxy-2-methylpropan-2-yl)oxy-5-oxopentan-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-yl] 2,2-dimethylbutanoate;methane (CID 159309444) is [(10S,13R)-17-[5-[tert-butyl(dimethyl)silyl]oxy-5-oxopentan-2-yl]-7-hydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl] 2,2-dimethylbutanoate;[(10S,13R)-17-[5-(1-ethoxyethoxy)-5-oxopentan-2-yl]-7-hydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl] 2,2-dimethylbutanoate;[(10S,13R)-7-hydroxy-10,13-dimethyl-17-[5-[3-[(2-methylpropan-2-yl)oxy]-3-oxopropoxy]-5-oxopentan-2-yl]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl] 2,2-dimethylbutanoate;[(10S,13R)-7-hydroxy-17-[5-[1-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]-5-oxopentan-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-yl] 2,2-dimethylbutanoate;[(10S,13R)-7-hydroxy-17-[5-(1-methoxy-2-methylpropan-2-yl)oxy-5-oxopentan-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-yl] 2,2-dimethylbutanoate;methane.

What is the SMILES notation for [(10S,13R)-17-[5-[tert-butyl(dimethyl)silyl]oxy-5-oxopentan-2-yl]-7-hydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl] 2,2-dimethylbutanoate;[(10S,13R)-17-[5-(1-ethoxyethoxy)-5-oxopentan-2-yl]-7-hydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl] 2,2-dimethylbutanoate;[(10S,13R)-7-hydroxy-10,13-dimethyl-17-[5-[3-[(2-methylpropan-2-yl)oxy]-3-oxopropoxy]-5-oxopentan-2-yl]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl] 2,2-dimethylbutanoate;[(10S,13R)-7-hydroxy-17-[5-[1-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]-5-oxopentan-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-yl] 2,2-dimethylbutanoate;[(10S,13R)-7-hydroxy-17-[5-(1-methoxy-2-methylpropan-2-yl)oxy-5-oxopentan-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-yl] 2,2-dimethylbutanoate;methane?

The canonical SMILES for [(10S,13R)-17-[5-[tert-butyl(dimethyl)silyl]oxy-5-oxopentan-2-yl]-7-hydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl] 2,2-dimethylbutanoate;[(10S,13R)-17-[5-(1-ethoxyethoxy)-5-oxopentan-2-yl]-7-hydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl] 2,2-dimethylbutanoate;[(10S,13R)-7-hydroxy-10,13-dimethyl-17-[5-[3-[(2-methylpropan-2-yl)oxy]-3-oxopropoxy]-5-oxopentan-2-yl]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl] 2,2-dimethylbutanoate;[(10S,13R)-7-hydroxy-17-[5-[1-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]-5-oxopentan-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-yl] 2,2-dimethylbutanoate;[(10S,13R)-7-hydroxy-17-[5-(1-methoxy-2-methylpropan-2-yl)oxy-5-oxopentan-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-yl] 2,2-dimethylbutanoate;methane is C.C.C.C.C.C.C.C.C.C.CCC(C)(C)C(=O)OC1CC[C@@]2(C)C(C1)CC(O)C1C3CCC(C(C)CCC(=O)OC(C)(C)COC)[C@@]3(C)CCC12.CCC(C)(C)C(=O)OC1CC[C@@]2(C)C(C1)CC(O)C1C3CCC(C(C)CCC(=O)OC(C)OCCOCCOCCOC)[C@@]3(C)CCC12.CCC(C)(C)C(=O)OC1CC[C@@]2(C)C(C1)CC(O)C1C3CCC(C(C)CCC(=O)OCCC(=O)OC(C)(C)C)[C@@]3(C)CCC12.CCC(C)(C)C(=O)OC1CC[C@@]2(C)C(C1)CC(O)C1C3CCC(C(C)CCC(=O)O[Si](C)(C)C(C)(C)C)[C@@]3(C)CCC12.CCOC(C)OC(=O)CCC(C)C1CCC2C3C(O)CC4CC(OC(=O)C(C)(C)CC)CC[C@]4(C)C3CC[C@]12C.

What is the InChIKey of [(10S,13R)-17-[5-[tert-butyl(dimethyl)silyl]oxy-5-oxopentan-2-yl]-7-hydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl] 2,2-dimethylbutanoate;[(10S,13R)-17-[5-(1-ethoxyethoxy)-5-oxopentan-2-yl]-7-hydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl] 2,2-dimethylbutanoate;[(10S,13R)-7-hydroxy-10,13-dimethyl-17-[5-[3-[(2-methylpropan-2-yl)oxy]-3-oxopropoxy]-5-oxopentan-2-yl]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl] 2,2-dimethylbutanoate;[(10S,13R)-7-hydroxy-17-[5-[1-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]-5-oxopentan-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-yl] 2,2-dimethylbutanoate;[(10S,13R)-7-hydroxy-17-[5-(1-methoxy-2-methylpropan-2-yl)oxy-5-oxopentan-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-yl] 2,2-dimethylbutanoate;methane?

The InChIKey is LCIQOLHCEJBRSX-HFYNHDFCSA-N. The full InChI is InChI=1S/C39H68O9.C37H62O7.C36H64O5Si.C35H60O6.C34H58O6.10CH4/c1-9-37(4,5)36(42)48-29-14-16-38(6)28(24-29)25-33(40)35-31-12-11-30(39(31,7)17-15-32(35)38)26(2)10-13-34(41)47-27(3)46-23-22-45-21-20-44-19-18-43-8;1-10-35(6,7)33(41)43-25-15-18-36(8)24(21-25)22-29(38)32-27-13-12-26(37(27,9)19-16-28(32)36)23(2)11-14-30(39)42-20-17-31(40)44-34(3,4)5;1-12-34(6,7)32(39)40-25-17-19-35(8)24(21-25)22-29(37)31-27-15-14-26(36(27,9)20-18-28(31)35)23(2)13-16-30(38)41-42(10,11)33(3,4)5;1-10-32(3,4)31(38)40-24-15-17-34(7)23(19-24)20-28(36)30-26-13-12-25(35(26,8)18-16-27(30)34)22(2)11-14-29(37)41-33(5,6)21-39-9;1-9-32(5,6)31(37)40-24-15-17-33(7)23(19-24)20-28(35)30-26-13-12-25(34(26,8)18-16-27(30)33)21(3)11-14-29(36)39-22(4)38-10-2;;;;;;;;;;/h26-33,35,40H,9-25H2,1-8H3;23-29,32,38H,10-22H2,1-9H3;23-29,31,37H,12-22H2,1-11H3;22-28,30,36H,10-21H2,1-9H3;21-28,30,35H,9-20H2,1-8H3;10*1H4/t26?,27?,28?,29?,30?,31?,32?,33?,35?,38-,39+;23?,24?,25?,26?,27?,28?,29?,32?,36-,37+;23?,24?,25?,26?,27?,28?,29?,31?,35-,36+;22?,23?,24?,25?,26?,27?,28?,30?,34-,35+;21?,22?,23?,24?,25?,26?,27?,28?,30?,33-,34+;;;;;;;;;;/m00000........../s1.

What are the key properties of [(10S,13R)-17-[5-[tert-butyl(dimethyl)silyl]oxy-5-oxopentan-2-yl]-7-hydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl] 2,2-dimethylbutanoate;[(10S,13R)-17-[5-(1-ethoxyethoxy)-5-oxopentan-2-yl]-7-hydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl] 2,2-dimethylbutanoate;[(10S,13R)-7-hydroxy-10,13-dimethyl-17-[5-[3-[(2-methylpropan-2-yl)oxy]-3-oxopropoxy]-5-oxopentan-2-yl]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl] 2,2-dimethylbutanoate;[(10S,13R)-7-hydroxy-17-[5-[1-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]-5-oxopentan-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-yl] 2,2-dimethylbutanoate;[(10S,13R)-7-hydroxy-17-[5-(1-methoxy-2-methylpropan-2-yl)oxy-5-oxopentan-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-yl] 2,2-dimethylbutanoate;methane?

[(10S,13R)-17-[5-[tert-butyl(dimethyl)silyl]oxy-5-oxopentan-2-yl]-7-hydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl] 2,2-dimethylbutanoate;[(10S,13R)-17-[5-(1-ethoxyethoxy)-5-oxopentan-2-yl]-7-hydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl] 2,2-dimethylbutanoate;[(10S,13R)-7-hydroxy-10,13-dimethyl-17-[5-[3-[(2-methylpropan-2-yl)oxy]-3-oxopropoxy]-5-oxopentan-2-yl]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl] 2,2-dimethylbutanoate;[(10S,13R)-7-hydroxy-17-[5-[1-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]-5-oxopentan-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-yl] 2,2-dimethylbutanoate;[(10S,13R)-7-hydroxy-17-[5-(1-methoxy-2-methylpropan-2-yl)oxy-5-oxopentan-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-yl] 2,2-dimethylbutanoate;methane has a molecular weight of 3204.97 g/mol, XLogP of 44.57, 56 rotatable bonds, 5 hydrogen bond donors, and 33 hydrogen bond acceptors.

Where does this data come from?

All data for [(10S,13R)-17-[5-[tert-butyl(dimethyl)silyl]oxy-5-oxopentan-2-yl]-7-hydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl] 2,2-dimethylbutanoate;[(10S,13R)-17-[5-(1-ethoxyethoxy)-5-oxopentan-2-yl]-7-hydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl] 2,2-dimethylbutanoate;[(10S,13R)-7-hydroxy-10,13-dimethyl-17-[5-[3-[(2-methylpropan-2-yl)oxy]-3-oxopropoxy]-5-oxopentan-2-yl]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl] 2,2-dimethylbutanoate;[(10S,13R)-7-hydroxy-17-[5-[1-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]-5-oxopentan-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-yl] 2,2-dimethylbutanoate;[(10S,13R)-7-hydroxy-17-[5-(1-methoxy-2-methylpropan-2-yl)oxy-5-oxopentan-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-yl] 2,2-dimethylbutanoate;methane is sourced from PubChem (CID 159309444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).