[2-oxo-2-(2-piperidin-4-ylpropan-2-yloxy)ethyl] (4R)-4-[(5S,8R,9S,10S,13R,14S,17R)-3,7,12-trihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoate;2-piperidin-4-ylpropan-2-yl (4R)-4-[(5S,8R,9S,10S,13R,14S,17R)-3,7-dihydroxy-10,13,14-trimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]pentanoate;2-piperidin-4-ylpropan-2-yl (4R)-4-[(5R,8R,9S,10S,13R,14S,17R)-7-hydroxy-10,13-dimethyl-3,12-dioxo-2,4,5,6,7,8,9,11,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoate;2-piperidin-4-ylpropan-2-yl (4R)-4-[(5S,8R,9S,10S,13R,14S,17R)-3,7,12-triacetyloxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoate;2-piperidin-4-ylpropan-2-yl (4R)-4-[(5S,8R,9S,10S,13R,14S,17R)-3,7,12-triformyloxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoate

C172H281N5O32 — CID 159558077

About [2-oxo-2-(2-piperidin-4-ylpropan-2-yloxy)ethyl] (4R)-4-[(5S,8R,9S,10S,13R,14S,17R)-3,7,12-trihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoate;2-piperidin-4-ylpropan-2-yl (4R)-4-[(5S,8R,9S,10S,13R,14S,17R)-3,7-dihydroxy-10,13,14-trimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]pentanoate;2-piperidin-4-ylpropan-2-yl (4R)-4-[(5R,8R,9S,10S,13R,14S,17R)-7-hydroxy-10,13-dimethyl-3,12-dioxo-2,4,5,6,7,8,9,11,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoate;2-piperidin-4-ylpropan-2-yl (4R)-4-[(5S,8R,9S,10S,13R,14S,17R)-3,7,12-triacetyloxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoate;2-piperidin-4-ylpropan-2-yl (4R)-4-[(5S,8R,9S,10S,13R,14S,17R)-3,7,12-triformyloxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoate

[2-oxo-2-(2-piperidin-4-ylpropan-2-yloxy)ethyl] (4R)-4-[(5S,8R,9S,10S,13R,14S,17R)-3,7,12-trihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoate;2-piperidin-4-ylpropan-2-yl (4R)-4-[(5S,8R,9S,10S,13R,14S,17R)-3,7-dihydroxy-10,13,14-trimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]pentanoate;2-piperidin-4-ylpropan-2-yl (4R)-4-[(5R,8R,9S,10S,13R,14S,17R)-7-hydroxy-10,13-dimethyl-3,12-dioxo-2,4,5,6,7,8,9,11,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoate;2-piperidin-4-ylpropan-2-yl (4R)-4-[(5S,8R,9S,10S,13R,14S,17R)-3,7,12-triacetyloxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoate;2-piperidin-4-ylpropan-2-yl (4R)-4-[(5S,8R,9S,10S,13R,14S,17R)-3,7,12-triformyloxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoate (PubChem CID 159558077) has the molecular formula C172H281N5O32 and a molecular weight of 2931.14 g/mol. Its IUPAC name is [2-oxo-2-(2-piperidin-4-ylpropan-2-yloxy)ethyl] (4R)-4-[(5S,8R,9S,10S,13R,14S,17R)-3,7,12-trihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoate;2-piperidin-4-ylpropan-2-yl (4R)-4-[(5S,8R,9S,10S,13R,14S,17R)-3,7-dihydroxy-10,13,14-trimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]pentanoate;2-piperidin-4-ylpropan-2-yl (4R)-4-[(5R,8R,9S,10S,13R,14S,17R)-7-hydroxy-10,13-dimethyl-3,12-dioxo-2,4,5,6,7,8,9,11,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoate;2-piperidin-4-ylpropan-2-yl (4R)-4-[(5S,8R,9S,10S,13R,14S,17R)-3,7,12-triacetyloxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoate;2-piperidin-4-ylpropan-2-yl (4R)-4-[(5S,8R,9S,10S,13R,14S,17R)-3,7,12-triformyloxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoate.

Molecular Properties

• Compound Name: [2-oxo-2-(2-piperidin-4-ylpropan-2-yloxy)ethyl] (4R)-4-[(5S,8R,9S,10S,13R,14S,17R)-3,7,12-trihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoate;2-piperidin-4-ylpropan-2-yl (4R)-4-[(5S,8R,9S,10S,13R,14S,17R)-3,7-dihydroxy-10,13,14-trimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]pentanoate;2-piperidin-4-ylpropan-2-yl (4R)-4-[(5R,8R,9S,10S,13R,14S,17R)-7-hydroxy-10,13-dimethyl-3,12-dioxo-2,4,5,6,7,8,9,11,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoate;2-piperidin-4-ylpropan-2-yl (4R)-4-[(5S,8R,9S,10S,13R,14S,17R)-3,7,12-triacetyloxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoate;2-piperidin-4-ylpropan-2-yl (4R)-4-[(5S,8R,9S,10S,13R,14S,17R)-3,7,12-triformyloxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoate
• PubChem CID: 159558077
• Molecular Formula: C172H281N5O32
• Molecular Weight: 2931.14 g/mol
• Exact Mass: 2929.05
• IUPAC Name: [2-oxo-2-(2-piperidin-4-ylpropan-2-yloxy)ethyl] (4R)-4-[(5S,8R,9S,10S,13R,14S,17R)-3,7,12-trihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoate;2-piperidin-4-ylpropan-2-yl (4R)-4-[(5S,8R,9S,10S,13R,14S,17R)-3,7-dihydroxy-10,13,14-trimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]pentanoate;2-piperidin-4-ylpropan-2-yl (4R)-4-[(5R,8R,9S,10S,13R,14S,17R)-7-hydroxy-10,13-dimethyl-3,12-dioxo-2,4,5,6,7,8,9,11,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoate;2-piperidin-4-ylpropan-2-yl (4R)-4-[(5S,8R,9S,10S,13R,14S,17R)-3,7,12-triacetyloxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoate;2-piperidin-4-ylpropan-2-yl (4R)-4-[(5S,8R,9S,10S,13R,14S,17R)-3,7,12-triformyloxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoate
• SMILES: CC(=O)OC1CC[C@@]2(C)[C@@H](C1)CC(OC(C)=O)[C@@H]1[C@@H]2CC(OC(C)=O)[C@]2(C)[C@@H]([C@H](C)CCC(=O)OC(C)(C)C3CCNCC3)CC[C@@H]12.C[C@H](CCC(=O)OC(C)(C)C1CCNCC1)[C@H]1CC[C@@]2(C)[C@@H]3C(O)C[C@@H]4CC(O)CC[C@]4(C)[C@H]3CC[C@]12C.C[C@H](CCC(=O)OC(C)(C)C1CCNCC1)[C@H]1CC[C@H]2[C@@H]3C(O)C[C@@H]4CC(=O)CC[C@]4(C)[C@H]3CC(=O)[C@]12C.C[C@H](CCC(=O)OC(C)(C)C1CCNCC1)[C@H]1CC[C@H]2[C@@H]3C(OC=O)C[C@@H]4CC(OC=O)CC[C@]4(C)[C@H]3CC(OC=O)[C@]12C.C[C@H](CCC(=O)OCC(=O)OC(C)(C)C1CCNCC1)[C@H]1CC[C@H]2[C@@H]3C(O)C[C@@H]4CC(O)CC[C@]4(C)[C@H]3CC(O)[C@]12C
• InChI: InChI=1S/C38H61NO8.C35H55NO8.C34H57NO7.C33H57NO4.C32H51NO5/c1-22(9-12-34(43)47-36(5,6)26-14-17-39-18-15-26)29-10-11-30-35-31(21-33(38(29,30)8)46-25(4)42)37(7)16-13-28(44-23(2)40)19-27(37)20-32(35)45-24(3)41;1-22(6-9-31(40)44-33(2,3)23-11-14-36-15-12-23)26-7-8-27-32-28(18-30(43-21-39)35(26,27)5)34(4)13-10-25(41-19-37)16-24(34)17-29(32)42-20-38;1-20(6-9-29(39)41-19-30(40)42-32(2,3)21-11-14-35-15-12-21)24-7-8-25-31-26(18-28(38)34(24,25)5)33(4)13-10-23(36)16-22(33)17-27(31)37;1-21(7-8-28(37)38-30(2,3)22-12-17-34-18-13-22)25-10-16-33(6)29-26(11-15-32(25,33)5)31(4)14-9-24(35)19-23(31)20-27(29)36;1-19(6-9-28(37)38-30(2,3)20-11-14-33-15-12-20)23-7-8-24-29-25(18-27(36)32(23,24)5)31(4)13-10-22(34)16-21(31)17-26(29)35/h22,26-33,35,39H,9-21H2,1-8H3;19-30,32,36H,6-18H2,1-5H3;20-28,31,35-38H,6-19H2,1-5H3;21-27,29,34-36H,7-20H2,1-6H3;19-21,23-26,29,33,35H,6-18H2,1-5H3/t22-,27+,28?,29-,30+,31+,32?,33?,35+,37+,38-;22-,24+,25?,26-,27+,28+,29?,30?,32+,34+,35-;20-,22+,23?,24-,25+,26+,27?,28?,31+,33+,34-;21-,23+,24?,25-,26+,27?,29+,31+,32-,33+;19-,21+,23-,24+,25+,26?,29+,31+,32-/m11111/s1
• InChIKey: MGGBQQYPYFSSRA-UKYPENDTSA-N
• XLogP: 27.06
• TPSA: 531.27 Ų
• H-Bond Donors: 11
• H-Bond Acceptors: 37
• Rotatable Bonds: 41
• Heavy Atoms: 209
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2931.14
LogP ≤ 5	27.06
H-Bond Donors ≤ 5	11
H-Bond Acceptors ≤ 10	37

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(2-piperidin-4-ylpropan-2-yloxy)ethyl] (4R)-4-[(5S,8R,9S,10S,13R,14S,17R)-3,7,12-trihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoate;2-piperidin-4-ylpropan-2-yl (4R)-4-[(5S,8R,9S,10S,13R,14S,17R)-3,7-dihydroxy-10,13,14-trimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]pentanoate;2-piperidin-4-ylpropan-2-yl (4R)-4-[(5R,8R,9S,10S,13R,14S,17R)-7-hydroxy-10,13-dimethyl-3,12-dioxo-2,4,5,6,7,8,9,11,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoate;2-piperidin-4-ylpropan-2-yl (4R)-4-[(5S,8R,9S,10S,13R,14S,17R)-3,7,12-triacetyloxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoate;2-piperidin-4-ylpropan-2-yl (4R)-4-[(5S,8R,9S,10S,13R,14S,17R)-3,7,12-triformyloxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoate?

The IUPAC name of [2-oxo-2-(2-piperidin-4-ylpropan-2-yloxy)ethyl] (4R)-4-[(5S,8R,9S,10S,13R,14S,17R)-3,7,12-trihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoate;2-piperidin-4-ylpropan-2-yl (4R)-4-[(5S,8R,9S,10S,13R,14S,17R)-3,7-dihydroxy-10,13,14-trimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]pentanoate;2-piperidin-4-ylpropan-2-yl (4R)-4-[(5R,8R,9S,10S,13R,14S,17R)-7-hydroxy-10,13-dimethyl-3,12-dioxo-2,4,5,6,7,8,9,11,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoate;2-piperidin-4-ylpropan-2-yl (4R)-4-[(5S,8R,9S,10S,13R,14S,17R)-3,7,12-triacetyloxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoate;2-piperidin-4-ylpropan-2-yl (4R)-4-[(5S,8R,9S,10S,13R,14S,17R)-3,7,12-triformyloxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoate (CID 159558077) is [2-oxo-2-(2-piperidin-4-ylpropan-2-yloxy)ethyl] (4R)-4-[(5S,8R,9S,10S,13R,14S,17R)-3,7,12-trihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoate;2-piperidin-4-ylpropan-2-yl (4R)-4-[(5S,8R,9S,10S,13R,14S,17R)-3,7-dihydroxy-10,13,14-trimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]pentanoate;2-piperidin-4-ylpropan-2-yl (4R)-4-[(5R,8R,9S,10S,13R,14S,17R)-7-hydroxy-10,13-dimethyl-3,12-dioxo-2,4,5,6,7,8,9,11,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoate;2-piperidin-4-ylpropan-2-yl (4R)-4-[(5S,8R,9S,10S,13R,14S,17R)-3,7,12-triacetyloxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoate;2-piperidin-4-ylpropan-2-yl (4R)-4-[(5S,8R,9S,10S,13R,14S,17R)-3,7,12-triformyloxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoate.

What is the SMILES notation for [2-oxo-2-(2-piperidin-4-ylpropan-2-yloxy)ethyl] (4R)-4-[(5S,8R,9S,10S,13R,14S,17R)-3,7,12-trihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoate;2-piperidin-4-ylpropan-2-yl (4R)-4-[(5S,8R,9S,10S,13R,14S,17R)-3,7-dihydroxy-10,13,14-trimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]pentanoate;2-piperidin-4-ylpropan-2-yl (4R)-4-[(5R,8R,9S,10S,13R,14S,17R)-7-hydroxy-10,13-dimethyl-3,12-dioxo-2,4,5,6,7,8,9,11,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoate;2-piperidin-4-ylpropan-2-yl (4R)-4-[(5S,8R,9S,10S,13R,14S,17R)-3,7,12-triacetyloxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoate;2-piperidin-4-ylpropan-2-yl (4R)-4-[(5S,8R,9S,10S,13R,14S,17R)-3,7,12-triformyloxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoate?

The canonical SMILES for [2-oxo-2-(2-piperidin-4-ylpropan-2-yloxy)ethyl] (4R)-4-[(5S,8R,9S,10S,13R,14S,17R)-3,7,12-trihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoate;2-piperidin-4-ylpropan-2-yl (4R)-4-[(5S,8R,9S,10S,13R,14S,17R)-3,7-dihydroxy-10,13,14-trimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]pentanoate;2-piperidin-4-ylpropan-2-yl (4R)-4-[(5R,8R,9S,10S,13R,14S,17R)-7-hydroxy-10,13-dimethyl-3,12-dioxo-2,4,5,6,7,8,9,11,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoate;2-piperidin-4-ylpropan-2-yl (4R)-4-[(5S,8R,9S,10S,13R,14S,17R)-3,7,12-triacetyloxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoate;2-piperidin-4-ylpropan-2-yl (4R)-4-[(5S,8R,9S,10S,13R,14S,17R)-3,7,12-triformyloxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoate is CC(=O)OC1CC[C@@]2(C)[C@@H](C1)CC(OC(C)=O)[C@@H]1[C@@H]2CC(OC(C)=O)[C@]2(C)[C@@H]([C@H](C)CCC(=O)OC(C)(C)C3CCNCC3)CC[C@@H]12.C[C@H](CCC(=O)OC(C)(C)C1CCNCC1)[C@H]1CC[C@@]2(C)[C@@H]3C(O)C[C@@H]4CC(O)CC[C@]4(C)[C@H]3CC[C@]12C.C[C@H](CCC(=O)OC(C)(C)C1CCNCC1)[C@H]1CC[C@H]2[C@@H]3C(O)C[C@@H]4CC(=O)CC[C@]4(C)[C@H]3CC(=O)[C@]12C.C[C@H](CCC(=O)OC(C)(C)C1CCNCC1)[C@H]1CC[C@H]2[C@@H]3C(OC=O)C[C@@H]4CC(OC=O)CC[C@]4(C)[C@H]3CC(OC=O)[C@]12C.C[C@H](CCC(=O)OCC(=O)OC(C)(C)C1CCNCC1)[C@H]1CC[C@H]2[C@@H]3C(O)C[C@@H]4CC(O)CC[C@]4(C)[C@H]3CC(O)[C@]12C.

What is the InChIKey of [2-oxo-2-(2-piperidin-4-ylpropan-2-yloxy)ethyl] (4R)-4-[(5S,8R,9S,10S,13R,14S,17R)-3,7,12-trihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoate;2-piperidin-4-ylpropan-2-yl (4R)-4-[(5S,8R,9S,10S,13R,14S,17R)-3,7-dihydroxy-10,13,14-trimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]pentanoate;2-piperidin-4-ylpropan-2-yl (4R)-4-[(5R,8R,9S,10S,13R,14S,17R)-7-hydroxy-10,13-dimethyl-3,12-dioxo-2,4,5,6,7,8,9,11,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoate;2-piperidin-4-ylpropan-2-yl (4R)-4-[(5S,8R,9S,10S,13R,14S,17R)-3,7,12-triacetyloxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoate;2-piperidin-4-ylpropan-2-yl (4R)-4-[(5S,8R,9S,10S,13R,14S,17R)-3,7,12-triformyloxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoate?

The InChIKey is MGGBQQYPYFSSRA-UKYPENDTSA-N. The full InChI is InChI=1S/C38H61NO8.C35H55NO8.C34H57NO7.C33H57NO4.C32H51NO5/c1-22(9-12-34(43)47-36(5,6)26-14-17-39-18-15-26)29-10-11-30-35-31(21-33(38(29,30)8)46-25(4)42)37(7)16-13-28(44-23(2)40)19-27(37)20-32(35)45-24(3)41;1-22(6-9-31(40)44-33(2,3)23-11-14-36-15-12-23)26-7-8-27-32-28(18-30(43-21-39)35(26,27)5)34(4)13-10-25(41-19-37)16-24(34)17-29(32)42-20-38;1-20(6-9-29(39)41-19-30(40)42-32(2,3)21-11-14-35-15-12-21)24-7-8-25-31-26(18-28(38)34(24,25)5)33(4)13-10-23(36)16-22(33)17-27(31)37;1-21(7-8-28(37)38-30(2,3)22-12-17-34-18-13-22)25-10-16-33(6)29-26(11-15-32(25,33)5)31(4)14-9-24(35)19-23(31)20-27(29)36;1-19(6-9-28(37)38-30(2,3)20-11-14-33-15-12-20)23-7-8-24-29-25(18-27(36)32(23,24)5)31(4)13-10-22(34)16-21(31)17-26(29)35/h22,26-33,35,39H,9-21H2,1-8H3;19-30,32,36H,6-18H2,1-5H3;20-28,31,35-38H,6-19H2,1-5H3;21-27,29,34-36H,7-20H2,1-6H3;19-21,23-26,29,33,35H,6-18H2,1-5H3/t22-,27+,28?,29-,30+,31+,32?,33?,35+,37+,38-;22-,24+,25?,26-,27+,28+,29?,30?,32+,34+,35-;20-,22+,23?,24-,25+,26+,27?,28?,31+,33+,34-;21-,23+,24?,25-,26+,27?,29+,31+,32-,33+;19-,21+,23-,24+,25+,26?,29+,31+,32-/m11111/s1.

What are the key properties of [2-oxo-2-(2-piperidin-4-ylpropan-2-yloxy)ethyl] (4R)-4-[(5S,8R,9S,10S,13R,14S,17R)-3,7,12-trihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoate;2-piperidin-4-ylpropan-2-yl (4R)-4-[(5S,8R,9S,10S,13R,14S,17R)-3,7-dihydroxy-10,13,14-trimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]pentanoate;2-piperidin-4-ylpropan-2-yl (4R)-4-[(5R,8R,9S,10S,13R,14S,17R)-7-hydroxy-10,13-dimethyl-3,12-dioxo-2,4,5,6,7,8,9,11,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoate;2-piperidin-4-ylpropan-2-yl (4R)-4-[(5S,8R,9S,10S,13R,14S,17R)-3,7,12-triacetyloxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoate;2-piperidin-4-ylpropan-2-yl (4R)-4-[(5S,8R,9S,10S,13R,14S,17R)-3,7,12-triformyloxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoate?

[2-oxo-2-(2-piperidin-4-ylpropan-2-yloxy)ethyl] (4R)-4-[(5S,8R,9S,10S,13R,14S,17R)-3,7,12-trihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoate;2-piperidin-4-ylpropan-2-yl (4R)-4-[(5S,8R,9S,10S,13R,14S,17R)-3,7-dihydroxy-10,13,14-trimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]pentanoate;2-piperidin-4-ylpropan-2-yl (4R)-4-[(5R,8R,9S,10S,13R,14S,17R)-7-hydroxy-10,13-dimethyl-3,12-dioxo-2,4,5,6,7,8,9,11,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoate;2-piperidin-4-ylpropan-2-yl (4R)-4-[(5S,8R,9S,10S,13R,14S,17R)-3,7,12-triacetyloxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoate;2-piperidin-4-ylpropan-2-yl (4R)-4-[(5S,8R,9S,10S,13R,14S,17R)-3,7,12-triformyloxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoate has a molecular weight of 2931.14 g/mol, XLogP of 27.06, 41 rotatable bonds, 11 hydrogen bond donors, and 37 hydrogen bond acceptors.

Where does this data come from?

All data for [2-oxo-2-(2-piperidin-4-ylpropan-2-yloxy)ethyl] (4R)-4-[(5S,8R,9S,10S,13R,14S,17R)-3,7,12-trihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoate;2-piperidin-4-ylpropan-2-yl (4R)-4-[(5S,8R,9S,10S,13R,14S,17R)-3,7-dihydroxy-10,13,14-trimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]pentanoate;2-piperidin-4-ylpropan-2-yl (4R)-4-[(5R,8R,9S,10S,13R,14S,17R)-7-hydroxy-10,13-dimethyl-3,12-dioxo-2,4,5,6,7,8,9,11,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoate;2-piperidin-4-ylpropan-2-yl (4R)-4-[(5S,8R,9S,10S,13R,14S,17R)-3,7,12-triacetyloxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoate;2-piperidin-4-ylpropan-2-yl (4R)-4-[(5S,8R,9S,10S,13R,14S,17R)-3,7,12-triformyloxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoate is sourced from PubChem (CID 159558077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).