[3-[4-[2-[4-[3-(1,4a-dimethyl-7-propan-2-yl-2,3,4,4b,5,6,7,8,8a,9,10,10a-dodecahydrophenanthrene-1-carbonyl)oxy-2-hydroxypropoxy]cyclohexyl]propan-2-yl]cyclohexyl]oxy-2-hydroxypropyl] 1,4a-dimethyl-7-propan-2-yl-2,3,4,4b,5,6,7,8,8a,9,10,10a-dodecahydrophenanthrene-1-carboxylate;[3-[3-[3-(1,4a-dimethyl-7-propan-2-yl-2,3,4,4b,5,6,7,8,8a,9,10,10a-dodecahydrophenanthrene-1-carbonyl)oxy-2-hydroxypropoxy]-2,2-dimethylpropoxy]-2-hydroxypropyl] 1,4a-dimethyl-7-propan-2-yl-2,3,4,4b,5,6,7,8,8a,9,10,10a-dodecahydrophenanthrene-1-carboxylate;[3-[2-[3-(1,4a-dimethyl-7-propan-2-yl-2,3,4,4b,5,6,7,8,8a,9,10,10a-dodecahydrophenanthrene-1-carbonyl)oxy-2-hydroxypropoxy]ethoxy]-2-hydroxypropyl] 1,4a-dimethyl-7-propan-2-yl-2,3,4,4b,5,6,7,8,8a,9,10,10a-dodecahydrophenanthrene-1-carboxylate;[3-[4-[[4-[3-(1,4a-dimethyl-7-propan-2-yl-2,3,4,4b,5,6,7,8,8a,9,10,10a-dodecahydrophenanthrene-1-carbonyl)oxy-2-hydroxypropoxy]phenyl]methyl]phenoxy]-2-hydroxypropyl] 1,4a-dimethyl-7-propan-2-yl-2,3,4,4b,5,6,7,8,8a,9,10,10a-dodecahydrophenanthrene-1-carboxylate;[3-[4-[4-[3-(1,4a-dimethyl-7-propan-2-yl-2,3,4,4b,5,6,10,10a-octahydrophenanthrene-1-carbonyl)oxy-2-hydroxypropoxy]phenyl]phenoxy]-2-hydroxypropyl] 1,4a-dimethyl-7-propan-2-yl-2,3,4,4b,5,6,10,10a-octahydrophenanthrene-1-carboxylate

C277H440O40 — CID 160502068

About [3-[4-[2-[4-[3-(1,4a-dimethyl-7-propan-2-yl-2,3,4,4b,5,6,7,8,8a,9,10,10a-dodecahydrophenanthrene-1-carbonyl)oxy-2-hydroxypropoxy]cyclohexyl]propan-2-yl]cyclohexyl]oxy-2-hydroxypropyl] 1,4a-dimethyl-7-propan-2-yl-2,3,4,4b,5,6,7,8,8a,9,10,10a-dodecahydrophenanthrene-1-carboxylate;[3-[3-[3-(1,4a-dimethyl-7-propan-2-yl-2,3,4,4b,5,6,7,8,8a,9,10,10a-dodecahydrophenanthrene-1-carbonyl)oxy-2-hydroxypropoxy]-2,2-dimethylpropoxy]-2-hydroxypropyl] 1,4a-dimethyl-7-propan-2-yl-2,3,4,4b,5,6,7,8,8a,9,10,10a-dodecahydrophenanthrene-1-carboxylate;[3-[2-[3-(1,4a-dimethyl-7-propan-2-yl-2,3,4,4b,5,6,7,8,8a,9,10,10a-dodecahydrophenanthrene-1-carbonyl)oxy-2-hydroxypropoxy]ethoxy]-2-hydroxypropyl] 1,4a-dimethyl-7-propan-2-yl-2,3,4,4b,5,6,7,8,8a,9,10,10a-dodecahydrophenanthrene-1-carboxylate;[3-[4-[[4-[3-(1,4a-dimethyl-7-propan-2-yl-2,3,4,4b,5,6,7,8,8a,9,10,10a-dodecahydrophenanthrene-1-carbonyl)oxy-2-hydroxypropoxy]phenyl]methyl]phenoxy]-2-hydroxypropyl] 1,4a-dimethyl-7-propan-2-yl-2,3,4,4b,5,6,7,8,8a,9,10,10a-dodecahydrophenanthrene-1-carboxylate;[3-[4-[4-[3-(1,4a-dimethyl-7-propan-2-yl-2,3,4,4b,5,6,10,10a-octahydrophenanthrene-1-carbonyl)oxy-2-hydroxypropoxy]phenyl]phenoxy]-2-hydroxypropyl] 1,4a-dimethyl-7-propan-2-yl-2,3,4,4b,5,6,10,10a-octahydrophenanthrene-1-carboxylate

[3-[4-[2-[4-[3-(1,4a-dimethyl-7-propan-2-yl-2,3,4,4b,5,6,7,8,8a,9,10,10a-dodecahydrophenanthrene-1-carbonyl)oxy-2-hydroxypropoxy]cyclohexyl]propan-2-yl]cyclohexyl]oxy-2-hydroxypropyl] 1,4a-dimethyl-7-propan-2-yl-2,3,4,4b,5,6,7,8,8a,9,10,10a-dodecahydrophenanthrene-1-carboxylate;[3-[3-[3-(1,4a-dimethyl-7-propan-2-yl-2,3,4,4b,5,6,7,8,8a,9,10,10a-dodecahydrophenanthrene-1-carbonyl)oxy-2-hydroxypropoxy]-2,2-dimethylpropoxy]-2-hydroxypropyl] 1,4a-dimethyl-7-propan-2-yl-2,3,4,4b,5,6,7,8,8a,9,10,10a-dodecahydrophenanthrene-1-carboxylate;[3-[2-[3-(1,4a-dimethyl-7-propan-2-yl-2,3,4,4b,5,6,7,8,8a,9,10,10a-dodecahydrophenanthrene-1-carbonyl)oxy-2-hydroxypropoxy]ethoxy]-2-hydroxypropyl] 1,4a-dimethyl-7-propan-2-yl-2,3,4,4b,5,6,7,8,8a,9,10,10a-dodecahydrophenanthrene-1-carboxylate;[3-[4-[[4-[3-(1,4a-dimethyl-7-propan-2-yl-2,3,4,4b,5,6,7,8,8a,9,10,10a-dodecahydrophenanthrene-1-carbonyl)oxy-2-hydroxypropoxy]phenyl]methyl]phenoxy]-2-hydroxypropyl] 1,4a-dimethyl-7-propan-2-yl-2,3,4,4b,5,6,7,8,8a,9,10,10a-dodecahydrophenanthrene-1-carboxylate;[3-[4-[4-[3-(1,4a-dimethyl-7-propan-2-yl-2,3,4,4b,5,6,10,10a-octahydrophenanthrene-1-carbonyl)oxy-2-hydroxypropoxy]phenyl]phenoxy]-2-hydroxypropyl] 1,4a-dimethyl-7-propan-2-yl-2,3,4,4b,5,6,10,10a-octahydrophenanthrene-1-carboxylate (PubChem CID 160502068) has the molecular formula C277H440O40 and a molecular weight of 4410.53 g/mol. Its IUPAC name is [3-[4-[2-[4-[3-(1,4a-dimethyl-7-propan-2-yl-2,3,4,4b,5,6,7,8,8a,9,10,10a-dodecahydrophenanthrene-1-carbonyl)oxy-2-hydroxypropoxy]cyclohexyl]propan-2-yl]cyclohexyl]oxy-2-hydroxypropyl] 1,4a-dimethyl-7-propan-2-yl-2,3,4,4b,5,6,7,8,8a,9,10,10a-dodecahydrophenanthrene-1-carboxylate;[3-[3-[3-(1,4a-dimethyl-7-propan-2-yl-2,3,4,4b,5,6,7,8,8a,9,10,10a-dodecahydrophenanthrene-1-carbonyl)oxy-2-hydroxypropoxy]-2,2-dimethylpropoxy]-2-hydroxypropyl] 1,4a-dimethyl-7-propan-2-yl-2,3,4,4b,5,6,7,8,8a,9,10,10a-dodecahydrophenanthrene-1-carboxylate;[3-[2-[3-(1,4a-dimethyl-7-propan-2-yl-2,3,4,4b,5,6,7,8,8a,9,10,10a-dodecahydrophenanthrene-1-carbonyl)oxy-2-hydroxypropoxy]ethoxy]-2-hydroxypropyl] 1,4a-dimethyl-7-propan-2-yl-2,3,4,4b,5,6,7,8,8a,9,10,10a-dodecahydrophenanthrene-1-carboxylate;[3-[4-[[4-[3-(1,4a-dimethyl-7-propan-2-yl-2,3,4,4b,5,6,7,8,8a,9,10,10a-dodecahydrophenanthrene-1-carbonyl)oxy-2-hydroxypropoxy]phenyl]methyl]phenoxy]-2-hydroxypropyl] 1,4a-dimethyl-7-propan-2-yl-2,3,4,4b,5,6,7,8,8a,9,10,10a-dodecahydrophenanthrene-1-carboxylate;[3-[4-[4-[3-(1,4a-dimethyl-7-propan-2-yl-2,3,4,4b,5,6,10,10a-octahydrophenanthrene-1-carbonyl)oxy-2-hydroxypropoxy]phenyl]phenoxy]-2-hydroxypropyl] 1,4a-dimethyl-7-propan-2-yl-2,3,4,4b,5,6,10,10a-octahydrophenanthrene-1-carboxylate.

Molecular Properties

• Compound Name: [3-[4-[2-[4-[3-(1,4a-dimethyl-7-propan-2-yl-2,3,4,4b,5,6,7,8,8a,9,10,10a-dodecahydrophenanthrene-1-carbonyl)oxy-2-hydroxypropoxy]cyclohexyl]propan-2-yl]cyclohexyl]oxy-2-hydroxypropyl] 1,4a-dimethyl-7-propan-2-yl-2,3,4,4b,5,6,7,8,8a,9,10,10a-dodecahydrophenanthrene-1-carboxylate;[3-[3-[3-(1,4a-dimethyl-7-propan-2-yl-2,3,4,4b,5,6,7,8,8a,9,10,10a-dodecahydrophenanthrene-1-carbonyl)oxy-2-hydroxypropoxy]-2,2-dimethylpropoxy]-2-hydroxypropyl] 1,4a-dimethyl-7-propan-2-yl-2,3,4,4b,5,6,7,8,8a,9,10,10a-dodecahydrophenanthrene-1-carboxylate;[3-[2-[3-(1,4a-dimethyl-7-propan-2-yl-2,3,4,4b,5,6,7,8,8a,9,10,10a-dodecahydrophenanthrene-1-carbonyl)oxy-2-hydroxypropoxy]ethoxy]-2-hydroxypropyl] 1,4a-dimethyl-7-propan-2-yl-2,3,4,4b,5,6,7,8,8a,9,10,10a-dodecahydrophenanthrene-1-carboxylate;[3-[4-[[4-[3-(1,4a-dimethyl-7-propan-2-yl-2,3,4,4b,5,6,7,8,8a,9,10,10a-dodecahydrophenanthrene-1-carbonyl)oxy-2-hydroxypropoxy]phenyl]methyl]phenoxy]-2-hydroxypropyl] 1,4a-dimethyl-7-propan-2-yl-2,3,4,4b,5,6,7,8,8a,9,10,10a-dodecahydrophenanthrene-1-carboxylate;[3-[4-[4-[3-(1,4a-dimethyl-7-propan-2-yl-2,3,4,4b,5,6,10,10a-octahydrophenanthrene-1-carbonyl)oxy-2-hydroxypropoxy]phenyl]phenoxy]-2-hydroxypropyl] 1,4a-dimethyl-7-propan-2-yl-2,3,4,4b,5,6,10,10a-octahydrophenanthrene-1-carboxylate
• PubChem CID: 160502068
• Molecular Formula: C277H440O40
• Molecular Weight: 4410.53 g/mol
• Exact Mass: 4407.24
• IUPAC Name: [3-[4-[2-[4-[3-(1,4a-dimethyl-7-propan-2-yl-2,3,4,4b,5,6,7,8,8a,9,10,10a-dodecahydrophenanthrene-1-carbonyl)oxy-2-hydroxypropoxy]cyclohexyl]propan-2-yl]cyclohexyl]oxy-2-hydroxypropyl] 1,4a-dimethyl-7-propan-2-yl-2,3,4,4b,5,6,7,8,8a,9,10,10a-dodecahydrophenanthrene-1-carboxylate;[3-[3-[3-(1,4a-dimethyl-7-propan-2-yl-2,3,4,4b,5,6,7,8,8a,9,10,10a-dodecahydrophenanthrene-1-carbonyl)oxy-2-hydroxypropoxy]-2,2-dimethylpropoxy]-2-hydroxypropyl] 1,4a-dimethyl-7-propan-2-yl-2,3,4,4b,5,6,7,8,8a,9,10,10a-dodecahydrophenanthrene-1-carboxylate;[3-[2-[3-(1,4a-dimethyl-7-propan-2-yl-2,3,4,4b,5,6,7,8,8a,9,10,10a-dodecahydrophenanthrene-1-carbonyl)oxy-2-hydroxypropoxy]ethoxy]-2-hydroxypropyl] 1,4a-dimethyl-7-propan-2-yl-2,3,4,4b,5,6,7,8,8a,9,10,10a-dodecahydrophenanthrene-1-carboxylate;[3-[4-[[4-[3-(1,4a-dimethyl-7-propan-2-yl-2,3,4,4b,5,6,7,8,8a,9,10,10a-dodecahydrophenanthrene-1-carbonyl)oxy-2-hydroxypropoxy]phenyl]methyl]phenoxy]-2-hydroxypropyl] 1,4a-dimethyl-7-propan-2-yl-2,3,4,4b,5,6,7,8,8a,9,10,10a-dodecahydrophenanthrene-1-carboxylate;[3-[4-[4-[3-(1,4a-dimethyl-7-propan-2-yl-2,3,4,4b,5,6,10,10a-octahydrophenanthrene-1-carbonyl)oxy-2-hydroxypropoxy]phenyl]phenoxy]-2-hydroxypropyl] 1,4a-dimethyl-7-propan-2-yl-2,3,4,4b,5,6,10,10a-octahydrophenanthrene-1-carboxylate
• SMILES: CC(C)C1=CC2=CCC3C(C)(C(=O)OCC(O)COc4ccc(-c5ccc(OCC(O)COC(=O)C6(C)CCCC7(C)C8CCC(C(C)C)=CC8=CCC67)cc5)cc4)CCCC3(C)C2CC1.CC(C)C1CCC2C(CCC3C(C)(C(=O)OCC(O)COC4CCC(C(C)(C)C5CCC(OCC(O)COC(=O)C6(C)CCCC7(C)C8CCC(C(C)C)CC8CCC67)CC5)CC4)CCCC23C)C1.CC(C)C1CCC2C(CCC3C(C)(C(=O)OCC(O)COCC(C)(C)COCC(O)COC(=O)C4(C)CCCC5(C)C6CCC(C(C)C)CC6CCC45)CCCC23C)C1.CC(C)C1CCC2C(CCC3C(C)(C(=O)OCC(O)COCCOCC(O)COC(=O)C4(C)CCCC5(C)C6CCC(C(C)C)CC6CCC45)CCCC23C)C1.CC(C)C1CCC2C(CCC3C(C)(C(=O)OCC(O)COc4ccc(Cc5ccc(OCC(O)COC(=O)C6(C)CCCC7(C)C8CCC(C(C)C)CC8CCC67)cc5)cc4)CCCC23C)C1
• InChI: InChI=1S/C61H104O8.C59H88O8.C58H78O8.C51H88O8.C48H82O8/c1-39(2)41-13-25-51-43(33-41)15-27-53-58(51,7)29-11-31-60(53,9)55(64)68-37-47(62)35-66-49-21-17-45(18-22-49)57(5,6)46-19-23-50(24-20-46)67-36-48(63)38-69-56(65)61(10)32-12-30-59(8)52-26-14-42(40(3)4)34-44(52)16-28-54(59)61;1-38(2)42-15-23-50-44(32-42)17-25-52-56(50,5)27-9-29-58(52,7)54(62)66-36-46(60)34-64-48-19-11-40(12-20-48)31-41-13-21-49(22-14-41)65-35-47(61)37-67-55(63)59(8)30-10-28-57(6)51-24-16-43(39(3)4)33-45(51)18-26-53(57)59;1-37(2)41-15-23-49-43(31-41)17-25-51-55(49,5)27-9-29-57(51,7)53(61)65-35-45(59)33-63-47-19-11-39(12-20-47)40-13-21-48(22-14-40)64-34-46(60)36-66-54(62)58(8)30-10-28-56(6)50-24-16-42(38(3)4)32-44(50)18-26-52(56)58;1-33(2)35-13-17-41-37(25-35)15-19-43-48(41,7)21-11-23-50(43,9)45(54)58-29-39(52)27-56-31-47(5,6)32-57-28-40(53)30-59-46(55)51(10)24-12-22-49(8)42-18-14-36(34(3)4)26-38(42)16-20-44(49)51;1-31(2)33-11-15-39-35(25-33)13-17-41-45(39,5)19-9-21-47(41,7)43(51)55-29-37(49)27-53-23-24-54-28-38(50)30-56-44(52)48(8)22-10-20-46(6)40-16-12-34(32(3)4)26-36(40)14-18-42(46)48/h39-54,62-63H,11-38H2,1-10H3;11-14,19-22,38-39,42-47,50-53,60-61H,9-10,15-18,23-37H2,1-8H3;11-14,17-22,31-32,37-38,45-46,49-52,59-60H,9-10,15-16,23-30,33-36H2,1-8H3;33-44,52-53H,11-32H2,1-10H3;31-42,49-50H,9-30H2,1-8H3
• InChIKey: QRXMTZUECFADJT-UHFFFAOYSA-N
• XLogP: 58.05
• TPSA: 557.60 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 40
• Rotatable Bonds: 78
• Heavy Atoms: 317
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	4410.53
LogP ≤ 5	58.05
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	40

Frequently Asked Questions

What is the IUPAC name of [3-[4-[2-[4-[3-(1,4a-dimethyl-7-propan-2-yl-2,3,4,4b,5,6,7,8,8a,9,10,10a-dodecahydrophenanthrene-1-carbonyl)oxy-2-hydroxypropoxy]cyclohexyl]propan-2-yl]cyclohexyl]oxy-2-hydroxypropyl] 1,4a-dimethyl-7-propan-2-yl-2,3,4,4b,5,6,7,8,8a,9,10,10a-dodecahydrophenanthrene-1-carboxylate;[3-[3-[3-(1,4a-dimethyl-7-propan-2-yl-2,3,4,4b,5,6,7,8,8a,9,10,10a-dodecahydrophenanthrene-1-carbonyl)oxy-2-hydroxypropoxy]-2,2-dimethylpropoxy]-2-hydroxypropyl] 1,4a-dimethyl-7-propan-2-yl-2,3,4,4b,5,6,7,8,8a,9,10,10a-dodecahydrophenanthrene-1-carboxylate;[3-[2-[3-(1,4a-dimethyl-7-propan-2-yl-2,3,4,4b,5,6,7,8,8a,9,10,10a-dodecahydrophenanthrene-1-carbonyl)oxy-2-hydroxypropoxy]ethoxy]-2-hydroxypropyl] 1,4a-dimethyl-7-propan-2-yl-2,3,4,4b,5,6,7,8,8a,9,10,10a-dodecahydrophenanthrene-1-carboxylate;[3-[4-[[4-[3-(1,4a-dimethyl-7-propan-2-yl-2,3,4,4b,5,6,7,8,8a,9,10,10a-dodecahydrophenanthrene-1-carbonyl)oxy-2-hydroxypropoxy]phenyl]methyl]phenoxy]-2-hydroxypropyl] 1,4a-dimethyl-7-propan-2-yl-2,3,4,4b,5,6,7,8,8a,9,10,10a-dodecahydrophenanthrene-1-carboxylate;[3-[4-[4-[3-(1,4a-dimethyl-7-propan-2-yl-2,3,4,4b,5,6,10,10a-octahydrophenanthrene-1-carbonyl)oxy-2-hydroxypropoxy]phenyl]phenoxy]-2-hydroxypropyl] 1,4a-dimethyl-7-propan-2-yl-2,3,4,4b,5,6,10,10a-octahydrophenanthrene-1-carboxylate?

The IUPAC name of [3-[4-[2-[4-[3-(1,4a-dimethyl-7-propan-2-yl-2,3,4,4b,5,6,7,8,8a,9,10,10a-dodecahydrophenanthrene-1-carbonyl)oxy-2-hydroxypropoxy]cyclohexyl]propan-2-yl]cyclohexyl]oxy-2-hydroxypropyl] 1,4a-dimethyl-7-propan-2-yl-2,3,4,4b,5,6,7,8,8a,9,10,10a-dodecahydrophenanthrene-1-carboxylate;[3-[3-[3-(1,4a-dimethyl-7-propan-2-yl-2,3,4,4b,5,6,7,8,8a,9,10,10a-dodecahydrophenanthrene-1-carbonyl)oxy-2-hydroxypropoxy]-2,2-dimethylpropoxy]-2-hydroxypropyl] 1,4a-dimethyl-7-propan-2-yl-2,3,4,4b,5,6,7,8,8a,9,10,10a-dodecahydrophenanthrene-1-carboxylate;[3-[2-[3-(1,4a-dimethyl-7-propan-2-yl-2,3,4,4b,5,6,7,8,8a,9,10,10a-dodecahydrophenanthrene-1-carbonyl)oxy-2-hydroxypropoxy]ethoxy]-2-hydroxypropyl] 1,4a-dimethyl-7-propan-2-yl-2,3,4,4b,5,6,7,8,8a,9,10,10a-dodecahydrophenanthrene-1-carboxylate;[3-[4-[[4-[3-(1,4a-dimethyl-7-propan-2-yl-2,3,4,4b,5,6,7,8,8a,9,10,10a-dodecahydrophenanthrene-1-carbonyl)oxy-2-hydroxypropoxy]phenyl]methyl]phenoxy]-2-hydroxypropyl] 1,4a-dimethyl-7-propan-2-yl-2,3,4,4b,5,6,7,8,8a,9,10,10a-dodecahydrophenanthrene-1-carboxylate;[3-[4-[4-[3-(1,4a-dimethyl-7-propan-2-yl-2,3,4,4b,5,6,10,10a-octahydrophenanthrene-1-carbonyl)oxy-2-hydroxypropoxy]phenyl]phenoxy]-2-hydroxypropyl] 1,4a-dimethyl-7-propan-2-yl-2,3,4,4b,5,6,10,10a-octahydrophenanthrene-1-carboxylate (CID 160502068) is [3-[4-[2-[4-[3-(1,4a-dimethyl-7-propan-2-yl-2,3,4,4b,5,6,7,8,8a,9,10,10a-dodecahydrophenanthrene-1-carbonyl)oxy-2-hydroxypropoxy]cyclohexyl]propan-2-yl]cyclohexyl]oxy-2-hydroxypropyl] 1,4a-dimethyl-7-propan-2-yl-2,3,4,4b,5,6,7,8,8a,9,10,10a-dodecahydrophenanthrene-1-carboxylate;[3-[3-[3-(1,4a-dimethyl-7-propan-2-yl-2,3,4,4b,5,6,7,8,8a,9,10,10a-dodecahydrophenanthrene-1-carbonyl)oxy-2-hydroxypropoxy]-2,2-dimethylpropoxy]-2-hydroxypropyl] 1,4a-dimethyl-7-propan-2-yl-2,3,4,4b,5,6,7,8,8a,9,10,10a-dodecahydrophenanthrene-1-carboxylate;[3-[2-[3-(1,4a-dimethyl-7-propan-2-yl-2,3,4,4b,5,6,7,8,8a,9,10,10a-dodecahydrophenanthrene-1-carbonyl)oxy-2-hydroxypropoxy]ethoxy]-2-hydroxypropyl] 1,4a-dimethyl-7-propan-2-yl-2,3,4,4b,5,6,7,8,8a,9,10,10a-dodecahydrophenanthrene-1-carboxylate;[3-[4-[[4-[3-(1,4a-dimethyl-7-propan-2-yl-2,3,4,4b,5,6,7,8,8a,9,10,10a-dodecahydrophenanthrene-1-carbonyl)oxy-2-hydroxypropoxy]phenyl]methyl]phenoxy]-2-hydroxypropyl] 1,4a-dimethyl-7-propan-2-yl-2,3,4,4b,5,6,7,8,8a,9,10,10a-dodecahydrophenanthrene-1-carboxylate;[3-[4-[4-[3-(1,4a-dimethyl-7-propan-2-yl-2,3,4,4b,5,6,10,10a-octahydrophenanthrene-1-carbonyl)oxy-2-hydroxypropoxy]phenyl]phenoxy]-2-hydroxypropyl] 1,4a-dimethyl-7-propan-2-yl-2,3,4,4b,5,6,10,10a-octahydrophenanthrene-1-carboxylate.

What is the SMILES notation for [3-[4-[2-[4-[3-(1,4a-dimethyl-7-propan-2-yl-2,3,4,4b,5,6,7,8,8a,9,10,10a-dodecahydrophenanthrene-1-carbonyl)oxy-2-hydroxypropoxy]cyclohexyl]propan-2-yl]cyclohexyl]oxy-2-hydroxypropyl] 1,4a-dimethyl-7-propan-2-yl-2,3,4,4b,5,6,7,8,8a,9,10,10a-dodecahydrophenanthrene-1-carboxylate;[3-[3-[3-(1,4a-dimethyl-7-propan-2-yl-2,3,4,4b,5,6,7,8,8a,9,10,10a-dodecahydrophenanthrene-1-carbonyl)oxy-2-hydroxypropoxy]-2,2-dimethylpropoxy]-2-hydroxypropyl] 1,4a-dimethyl-7-propan-2-yl-2,3,4,4b,5,6,7,8,8a,9,10,10a-dodecahydrophenanthrene-1-carboxylate;[3-[2-[3-(1,4a-dimethyl-7-propan-2-yl-2,3,4,4b,5,6,7,8,8a,9,10,10a-dodecahydrophenanthrene-1-carbonyl)oxy-2-hydroxypropoxy]ethoxy]-2-hydroxypropyl] 1,4a-dimethyl-7-propan-2-yl-2,3,4,4b,5,6,7,8,8a,9,10,10a-dodecahydrophenanthrene-1-carboxylate;[3-[4-[[4-[3-(1,4a-dimethyl-7-propan-2-yl-2,3,4,4b,5,6,7,8,8a,9,10,10a-dodecahydrophenanthrene-1-carbonyl)oxy-2-hydroxypropoxy]phenyl]methyl]phenoxy]-2-hydroxypropyl] 1,4a-dimethyl-7-propan-2-yl-2,3,4,4b,5,6,7,8,8a,9,10,10a-dodecahydrophenanthrene-1-carboxylate;[3-[4-[4-[3-(1,4a-dimethyl-7-propan-2-yl-2,3,4,4b,5,6,10,10a-octahydrophenanthrene-1-carbonyl)oxy-2-hydroxypropoxy]phenyl]phenoxy]-2-hydroxypropyl] 1,4a-dimethyl-7-propan-2-yl-2,3,4,4b,5,6,10,10a-octahydrophenanthrene-1-carboxylate?

The canonical SMILES for [3-[4-[2-[4-[3-(1,4a-dimethyl-7-propan-2-yl-2,3,4,4b,5,6,7,8,8a,9,10,10a-dodecahydrophenanthrene-1-carbonyl)oxy-2-hydroxypropoxy]cyclohexyl]propan-2-yl]cyclohexyl]oxy-2-hydroxypropyl] 1,4a-dimethyl-7-propan-2-yl-2,3,4,4b,5,6,7,8,8a,9,10,10a-dodecahydrophenanthrene-1-carboxylate;[3-[3-[3-(1,4a-dimethyl-7-propan-2-yl-2,3,4,4b,5,6,7,8,8a,9,10,10a-dodecahydrophenanthrene-1-carbonyl)oxy-2-hydroxypropoxy]-2,2-dimethylpropoxy]-2-hydroxypropyl] 1,4a-dimethyl-7-propan-2-yl-2,3,4,4b,5,6,7,8,8a,9,10,10a-dodecahydrophenanthrene-1-carboxylate;[3-[2-[3-(1,4a-dimethyl-7-propan-2-yl-2,3,4,4b,5,6,7,8,8a,9,10,10a-dodecahydrophenanthrene-1-carbonyl)oxy-2-hydroxypropoxy]ethoxy]-2-hydroxypropyl] 1,4a-dimethyl-7-propan-2-yl-2,3,4,4b,5,6,7,8,8a,9,10,10a-dodecahydrophenanthrene-1-carboxylate;[3-[4-[[4-[3-(1,4a-dimethyl-7-propan-2-yl-2,3,4,4b,5,6,7,8,8a,9,10,10a-dodecahydrophenanthrene-1-carbonyl)oxy-2-hydroxypropoxy]phenyl]methyl]phenoxy]-2-hydroxypropyl] 1,4a-dimethyl-7-propan-2-yl-2,3,4,4b,5,6,7,8,8a,9,10,10a-dodecahydrophenanthrene-1-carboxylate;[3-[4-[4-[3-(1,4a-dimethyl-7-propan-2-yl-2,3,4,4b,5,6,10,10a-octahydrophenanthrene-1-carbonyl)oxy-2-hydroxypropoxy]phenyl]phenoxy]-2-hydroxypropyl] 1,4a-dimethyl-7-propan-2-yl-2,3,4,4b,5,6,10,10a-octahydrophenanthrene-1-carboxylate is CC(C)C1=CC2=CCC3C(C)(C(=O)OCC(O)COc4ccc(-c5ccc(OCC(O)COC(=O)C6(C)CCCC7(C)C8CCC(C(C)C)=CC8=CCC67)cc5)cc4)CCCC3(C)C2CC1.CC(C)C1CCC2C(CCC3C(C)(C(=O)OCC(O)COC4CCC(C(C)(C)C5CCC(OCC(O)COC(=O)C6(C)CCCC7(C)C8CCC(C(C)C)CC8CCC67)CC5)CC4)CCCC23C)C1.CC(C)C1CCC2C(CCC3C(C)(C(=O)OCC(O)COCC(C)(C)COCC(O)COC(=O)C4(C)CCCC5(C)C6CCC(C(C)C)CC6CCC45)CCCC23C)C1.CC(C)C1CCC2C(CCC3C(C)(C(=O)OCC(O)COCCOCC(O)COC(=O)C4(C)CCCC5(C)C6CCC(C(C)C)CC6CCC45)CCCC23C)C1.CC(C)C1CCC2C(CCC3C(C)(C(=O)OCC(O)COc4ccc(Cc5ccc(OCC(O)COC(=O)C6(C)CCCC7(C)C8CCC(C(C)C)CC8CCC67)cc5)cc4)CCCC23C)C1.

What is the InChIKey of [3-[4-[2-[4-[3-(1,4a-dimethyl-7-propan-2-yl-2,3,4,4b,5,6,7,8,8a,9,10,10a-dodecahydrophenanthrene-1-carbonyl)oxy-2-hydroxypropoxy]cyclohexyl]propan-2-yl]cyclohexyl]oxy-2-hydroxypropyl] 1,4a-dimethyl-7-propan-2-yl-2,3,4,4b,5,6,7,8,8a,9,10,10a-dodecahydrophenanthrene-1-carboxylate;[3-[3-[3-(1,4a-dimethyl-7-propan-2-yl-2,3,4,4b,5,6,7,8,8a,9,10,10a-dodecahydrophenanthrene-1-carbonyl)oxy-2-hydroxypropoxy]-2,2-dimethylpropoxy]-2-hydroxypropyl] 1,4a-dimethyl-7-propan-2-yl-2,3,4,4b,5,6,7,8,8a,9,10,10a-dodecahydrophenanthrene-1-carboxylate;[3-[2-[3-(1,4a-dimethyl-7-propan-2-yl-2,3,4,4b,5,6,7,8,8a,9,10,10a-dodecahydrophenanthrene-1-carbonyl)oxy-2-hydroxypropoxy]ethoxy]-2-hydroxypropyl] 1,4a-dimethyl-7-propan-2-yl-2,3,4,4b,5,6,7,8,8a,9,10,10a-dodecahydrophenanthrene-1-carboxylate;[3-[4-[[4-[3-(1,4a-dimethyl-7-propan-2-yl-2,3,4,4b,5,6,7,8,8a,9,10,10a-dodecahydrophenanthrene-1-carbonyl)oxy-2-hydroxypropoxy]phenyl]methyl]phenoxy]-2-hydroxypropyl] 1,4a-dimethyl-7-propan-2-yl-2,3,4,4b,5,6,7,8,8a,9,10,10a-dodecahydrophenanthrene-1-carboxylate;[3-[4-[4-[3-(1,4a-dimethyl-7-propan-2-yl-2,3,4,4b,5,6,10,10a-octahydrophenanthrene-1-carbonyl)oxy-2-hydroxypropoxy]phenyl]phenoxy]-2-hydroxypropyl] 1,4a-dimethyl-7-propan-2-yl-2,3,4,4b,5,6,10,10a-octahydrophenanthrene-1-carboxylate?

The InChIKey is QRXMTZUECFADJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C61H104O8.C59H88O8.C58H78O8.C51H88O8.C48H82O8/c1-39(2)41-13-25-51-43(33-41)15-27-53-58(51,7)29-11-31-60(53,9)55(64)68-37-47(62)35-66-49-21-17-45(18-22-49)57(5,6)46-19-23-50(24-20-46)67-36-48(63)38-69-56(65)61(10)32-12-30-59(8)52-26-14-42(40(3)4)34-44(52)16-28-54(59)61;1-38(2)42-15-23-50-44(32-42)17-25-52-56(50,5)27-9-29-58(52,7)54(62)66-36-46(60)34-64-48-19-11-40(12-20-48)31-41-13-21-49(22-14-41)65-35-47(61)37-67-55(63)59(8)30-10-28-57(6)51-24-16-43(39(3)4)33-45(51)18-26-53(57)59;1-37(2)41-15-23-49-43(31-41)17-25-51-55(49,5)27-9-29-57(51,7)53(61)65-35-45(59)33-63-47-19-11-39(12-20-47)40-13-21-48(22-14-40)64-34-46(60)36-66-54(62)58(8)30-10-28-56(6)50-24-16-42(38(3)4)32-44(50)18-26-52(56)58;1-33(2)35-13-17-41-37(25-35)15-19-43-48(41,7)21-11-23-50(43,9)45(54)58-29-39(52)27-56-31-47(5,6)32-57-28-40(53)30-59-46(55)51(10)24-12-22-49(8)42-18-14-36(34(3)4)26-38(42)16-20-44(49)51;1-31(2)33-11-15-39-35(25-33)13-17-41-45(39,5)19-9-21-47(41,7)43(51)55-29-37(49)27-53-23-24-54-28-38(50)30-56-44(52)48(8)22-10-20-46(6)40-16-12-34(32(3)4)26-36(40)14-18-42(46)48/h39-54,62-63H,11-38H2,1-10H3;11-14,19-22,38-39,42-47,50-53,60-61H,9-10,15-18,23-37H2,1-8H3;11-14,17-22,31-32,37-38,45-46,49-52,59-60H,9-10,15-16,23-30,33-36H2,1-8H3;33-44,52-53H,11-32H2,1-10H3;31-42,49-50H,9-30H2,1-8H3.

What are the key properties of [3-[4-[2-[4-[3-(1,4a-dimethyl-7-propan-2-yl-2,3,4,4b,5,6,7,8,8a,9,10,10a-dodecahydrophenanthrene-1-carbonyl)oxy-2-hydroxypropoxy]cyclohexyl]propan-2-yl]cyclohexyl]oxy-2-hydroxypropyl] 1,4a-dimethyl-7-propan-2-yl-2,3,4,4b,5,6,7,8,8a,9,10,10a-dodecahydrophenanthrene-1-carboxylate;[3-[3-[3-(1,4a-dimethyl-7-propan-2-yl-2,3,4,4b,5,6,7,8,8a,9,10,10a-dodecahydrophenanthrene-1-carbonyl)oxy-2-hydroxypropoxy]-2,2-dimethylpropoxy]-2-hydroxypropyl] 1,4a-dimethyl-7-propan-2-yl-2,3,4,4b,5,6,7,8,8a,9,10,10a-dodecahydrophenanthrene-1-carboxylate;[3-[2-[3-(1,4a-dimethyl-7-propan-2-yl-2,3,4,4b,5,6,7,8,8a,9,10,10a-dodecahydrophenanthrene-1-carbonyl)oxy-2-hydroxypropoxy]ethoxy]-2-hydroxypropyl] 1,4a-dimethyl-7-propan-2-yl-2,3,4,4b,5,6,7,8,8a,9,10,10a-dodecahydrophenanthrene-1-carboxylate;[3-[4-[[4-[3-(1,4a-dimethyl-7-propan-2-yl-2,3,4,4b,5,6,7,8,8a,9,10,10a-dodecahydrophenanthrene-1-carbonyl)oxy-2-hydroxypropoxy]phenyl]methyl]phenoxy]-2-hydroxypropyl] 1,4a-dimethyl-7-propan-2-yl-2,3,4,4b,5,6,7,8,8a,9,10,10a-dodecahydrophenanthrene-1-carboxylate;[3-[4-[4-[3-(1,4a-dimethyl-7-propan-2-yl-2,3,4,4b,5,6,10,10a-octahydrophenanthrene-1-carbonyl)oxy-2-hydroxypropoxy]phenyl]phenoxy]-2-hydroxypropyl] 1,4a-dimethyl-7-propan-2-yl-2,3,4,4b,5,6,10,10a-octahydrophenanthrene-1-carboxylate?

[3-[4-[2-[4-[3-(1,4a-dimethyl-7-propan-2-yl-2,3,4,4b,5,6,7,8,8a,9,10,10a-dodecahydrophenanthrene-1-carbonyl)oxy-2-hydroxypropoxy]cyclohexyl]propan-2-yl]cyclohexyl]oxy-2-hydroxypropyl] 1,4a-dimethyl-7-propan-2-yl-2,3,4,4b,5,6,7,8,8a,9,10,10a-dodecahydrophenanthrene-1-carboxylate;[3-[3-[3-(1,4a-dimethyl-7-propan-2-yl-2,3,4,4b,5,6,7,8,8a,9,10,10a-dodecahydrophenanthrene-1-carbonyl)oxy-2-hydroxypropoxy]-2,2-dimethylpropoxy]-2-hydroxypropyl] 1,4a-dimethyl-7-propan-2-yl-2,3,4,4b,5,6,7,8,8a,9,10,10a-dodecahydrophenanthrene-1-carboxylate;[3-[2-[3-(1,4a-dimethyl-7-propan-2-yl-2,3,4,4b,5,6,7,8,8a,9,10,10a-dodecahydrophenanthrene-1-carbonyl)oxy-2-hydroxypropoxy]ethoxy]-2-hydroxypropyl] 1,4a-dimethyl-7-propan-2-yl-2,3,4,4b,5,6,7,8,8a,9,10,10a-dodecahydrophenanthrene-1-carboxylate;[3-[4-[[4-[3-(1,4a-dimethyl-7-propan-2-yl-2,3,4,4b,5,6,7,8,8a,9,10,10a-dodecahydrophenanthrene-1-carbonyl)oxy-2-hydroxypropoxy]phenyl]methyl]phenoxy]-2-hydroxypropyl] 1,4a-dimethyl-7-propan-2-yl-2,3,4,4b,5,6,7,8,8a,9,10,10a-dodecahydrophenanthrene-1-carboxylate;[3-[4-[4-[3-(1,4a-dimethyl-7-propan-2-yl-2,3,4,4b,5,6,10,10a-octahydrophenanthrene-1-carbonyl)oxy-2-hydroxypropoxy]phenyl]phenoxy]-2-hydroxypropyl] 1,4a-dimethyl-7-propan-2-yl-2,3,4,4b,5,6,10,10a-octahydrophenanthrene-1-carboxylate has a molecular weight of 4410.53 g/mol, XLogP of 58.05, 78 rotatable bonds, 10 hydrogen bond donors, and 40 hydrogen bond acceptors.

Where does this data come from?

All data for [3-[4-[2-[4-[3-(1,4a-dimethyl-7-propan-2-yl-2,3,4,4b,5,6,7,8,8a,9,10,10a-dodecahydrophenanthrene-1-carbonyl)oxy-2-hydroxypropoxy]cyclohexyl]propan-2-yl]cyclohexyl]oxy-2-hydroxypropyl] 1,4a-dimethyl-7-propan-2-yl-2,3,4,4b,5,6,7,8,8a,9,10,10a-dodecahydrophenanthrene-1-carboxylate;[3-[3-[3-(1,4a-dimethyl-7-propan-2-yl-2,3,4,4b,5,6,7,8,8a,9,10,10a-dodecahydrophenanthrene-1-carbonyl)oxy-2-hydroxypropoxy]-2,2-dimethylpropoxy]-2-hydroxypropyl] 1,4a-dimethyl-7-propan-2-yl-2,3,4,4b,5,6,7,8,8a,9,10,10a-dodecahydrophenanthrene-1-carboxylate;[3-[2-[3-(1,4a-dimethyl-7-propan-2-yl-2,3,4,4b,5,6,7,8,8a,9,10,10a-dodecahydrophenanthrene-1-carbonyl)oxy-2-hydroxypropoxy]ethoxy]-2-hydroxypropyl] 1,4a-dimethyl-7-propan-2-yl-2,3,4,4b,5,6,7,8,8a,9,10,10a-dodecahydrophenanthrene-1-carboxylate;[3-[4-[[4-[3-(1,4a-dimethyl-7-propan-2-yl-2,3,4,4b,5,6,7,8,8a,9,10,10a-dodecahydrophenanthrene-1-carbonyl)oxy-2-hydroxypropoxy]phenyl]methyl]phenoxy]-2-hydroxypropyl] 1,4a-dimethyl-7-propan-2-yl-2,3,4,4b,5,6,7,8,8a,9,10,10a-dodecahydrophenanthrene-1-carboxylate;[3-[4-[4-[3-(1,4a-dimethyl-7-propan-2-yl-2,3,4,4b,5,6,10,10a-octahydrophenanthrene-1-carbonyl)oxy-2-hydroxypropoxy]phenyl]phenoxy]-2-hydroxypropyl] 1,4a-dimethyl-7-propan-2-yl-2,3,4,4b,5,6,10,10a-octahydrophenanthrene-1-carboxylate is sourced from PubChem (CID 160502068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).