lithium;(1S,2S,4S,7R,9S,10R,11S,15S)-4,11-diacetyloxy-2-benzoyloxy-1-hydroxy-9,10,14,17,17-pentamethyl-12-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-15-olate;[(1S,2S,4S,7R,9S,10R,11S,15S)-4,11-diacetyloxy-1,15-dihydroxy-9,10,14,17,17-pentamethyl-12-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-2-yl] benzoate;[(1S,2S,4S,7R,9S,10S,11R,15S)-4,11-diacetyloxy-1,9-dihydroxy-10,14,17,17-tetramethyl-15-trimethylsilyloxy-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-2-yl] benzoate;[(1S,2S,4S,7R,9S,10R,15S)-4,9-diacetyloxy-1,11,12-trihydroxy-10,14,17,17-tetramethyl-15-[2,2,3-trimethyl-3-(methylamino)butanoyl]oxy-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-2-yl] benzoate;methane;1,3,3,4,4-pentamethylazetidin-2-one

C146H201LiN2O43Si — CID 158186528

IUPAClithium;(1S,2S,4S,7R,9S,10R,11S,15S)-4,11-diacetyloxy-2-benzoyloxy-1-hydroxy-9,10,14,17,17-pentamethyl-12-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-15-olate;[(1S,2S,4S,7R,9S,10R,11S,15S)-4,11-diacetyloxy-1,15-dihydroxy-9,10,14,17,17-pentamethyl-12-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-2-yl] benzoate;[(1S,2S,4S,7R,9S,10S,11R,15S)-4,11-diacetyloxy-1,9-dihydroxy-10,14,17,17-tetramethyl-15-trimethylsilyloxy-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-2-yl] benzoate;[(1S,2S,4S,7R,9S,10R,15S)-4,9-diacetyloxy-1,11,12-trihydroxy-10,14,17,17-tetramethyl-15-[2,2,3-trimethyl-3-(methylamino)butanoyl]oxy-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-2-yl] benzoate;methane;1,3,3,4,4-pentamethylazetidin-2-one
SMILESC.CC(=O)O[C@@H]1C(=O)C2=C(C)[C@@H](O)C[C@@](O)(C(OC(=O)c3ccccc3)C3[C@@]1(C)[C@@H](C)C[C@H]1OC[C@@]31OC(C)=O)C2(C)C.CC(=O)O[C@@H]1C(=O)C2=C(C)[C@@H]([O-])C[C@@](O)(C(OC(=O)c3ccccc3)C3[C@@]1(C)[C@@H](C)C[C@H]1OC[C@@]31OC(C)=O)C2(C)C.CC(=O)O[C@@H]1CC2=C(C)[C@@H](O[Si](C)(C)C)C[C@@](O)(C(OC(=O)c3ccccc3)C3[C@@]1(C)[C@@H](O)C[C@H]1OC[C@@]31OC(C)=O)C2(C)C.CN1C(=O)C(C)(C)C1(C)C.CNC(C)(C)C(C)(C)C(=O)O[C@H]1C[C@@]2(O)C(OC(=O)c3ccccc3)C3[C@](C)(C(O)C(O)C(=C1C)C2(C)C)[C@@H](OC(C)=O)C[C@H]1OC[C@@]31OC(C)=O.[Li+]
InChIInChI=1S/C39H55NO12.C34H48O10Si.C32H40O10.C32H39O10.C8H15NO.CH4.Li/c1-20-24(50-33(46)35(6,7)36(8,9)40-11)18-39(47)31(51-32(45)23-15-13-12-14-16-23)29-37(10,30(44)28(43)27(20)34(39,4)5)25(49-21(2)41)17-26-38(29,19-48-26)52-22(3)42;1-19-23-15-26(41-20(2)35)32(6)25(37)16-27-33(18-40-27,43-21(3)36)28(32)29(42-30(38)22-13-11-10-12-14-22)34(39,31(23,4)5)17-24(19)44-45(7,8)9;2*1-16-13-22-31(15-39-22,42-19(4)34)25-27(41-28(37)20-11-9-8-10-12-20)32(38)14-21(35)17(2)23(29(32,5)6)24(36)26(30(16,25)7)40-18(3)33;1-7(2)6(10)9(5)8(7,3)4;;/h12-16,24-26,28-31,40,43-44,47H,17-19H2,1-11H3;10-14,24-29,37,39H,15-18H2,1-9H3;8-12,16,21-22,25-27,35,38H,13-15H2,1-7H3;8-12,16,21-22,25-27,38H,13-15H2,1-7H3;1-5H3;1H4;/q;;;-1;;;+1/t24-,25-,26+,28?,29?,30?,31?,37+,38-,39+;24-,25-,26+,27+,28?,29?,32-,33-,34+;2*16-,21-,22+,25?,26+,27?,30+,31-,32+;;;/m0000.../s1
InChIKeyFZEZIIDNQNIGCG-NHFGLDFPSA-N
MW2707.21 g/mol
LogP11.48
Rot. Bonds22

About lithium;(1S,2S,4S,7R,9S,10R,11S,15S)-4,11-diacetyloxy-2-benzoyloxy-1-hydroxy-9,10,14,17,17-pentamethyl-12-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-15-olate;[(1S,2S,4S,7R,9S,10R,11S,15S)-4,11-diacetyloxy-1,15-dihydroxy-9,10,14,17,17-pentamethyl-12-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-2-yl] benzoate;[(1S,2S,4S,7R,9S,10S,11R,15S)-4,11-diacetyloxy-1,9-dihydroxy-10,14,17,17-tetramethyl-15-trimethylsilyloxy-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-2-yl] benzoate;[(1S,2S,4S,7R,9S,10R,15S)-4,9-diacetyloxy-1,11,12-trihydroxy-10,14,17,17-tetramethyl-15-[2,2,3-trimethyl-3-(methylamino)butanoyl]oxy-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-2-yl] benzoate;methane;1,3,3,4,4-pentamethylazetidin-2-one

lithium;(1S,2S,4S,7R,9S,10R,11S,15S)-4,11-diacetyloxy-2-benzoyloxy-1-hydroxy-9,10,14,17,17-pentamethyl-12-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-15-olate;[(1S,2S,4S,7R,9S,10R,11S,15S)-4,11-diacetyloxy-1,15-dihydroxy-9,10,14,17,17-pentamethyl-12-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-2-yl] benzoate;[(1S,2S,4S,7R,9S,10S,11R,15S)-4,11-diacetyloxy-1,9-dihydroxy-10,14,17,17-tetramethyl-15-trimethylsilyloxy-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-2-yl] benzoate;[(1S,2S,4S,7R,9S,10R,15S)-4,9-diacetyloxy-1,11,12-trihydroxy-10,14,17,17-tetramethyl-15-[2,2,3-trimethyl-3-(methylamino)butanoyl]oxy-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-2-yl] benzoate;methane;1,3,3,4,4-pentamethylazetidin-2-one (PubChem CID 158186528) has the molecular formula C146H201LiN2O43Si and a molecular weight of 2707.21 g/mol. Its IUPAC name is lithium;(1S,2S,4S,7R,9S,10R,11S,15S)-4,11-diacetyloxy-2-benzoyloxy-1-hydroxy-9,10,14,17,17-pentamethyl-12-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-15-olate;[(1S,2S,4S,7R,9S,10R,11S,15S)-4,11-diacetyloxy-1,15-dihydroxy-9,10,14,17,17-pentamethyl-12-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-2-yl] benzoate;[(1S,2S,4S,7R,9S,10S,11R,15S)-4,11-diacetyloxy-1,9-dihydroxy-10,14,17,17-tetramethyl-15-trimethylsilyloxy-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-2-yl] benzoate;[(1S,2S,4S,7R,9S,10R,15S)-4,9-diacetyloxy-1,11,12-trihydroxy-10,14,17,17-tetramethyl-15-[2,2,3-trimethyl-3-(methylamino)butanoyl]oxy-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-2-yl] benzoate;methane;1,3,3,4,4-pentamethylazetidin-2-one.

Molecular Properties

Compound Namelithium;(1S,2S,4S,7R,9S,10R,11S,15S)-4,11-diacetyloxy-2-benzoyloxy-1-hydroxy-9,10,14,17,17-pentamethyl-12-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-15-olate;[(1S,2S,4S,7R,9S,10R,11S,15S)-4,11-diacetyloxy-1,15-dihydroxy-9,10,14,17,17-pentamethyl-12-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-2-yl] benzoate;[(1S,2S,4S,7R,9S,10S,11R,15S)-4,11-diacetyloxy-1,9-dihydroxy-10,14,17,17-tetramethyl-15-trimethylsilyloxy-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-2-yl] benzoate;[(1S,2S,4S,7R,9S,10R,15S)-4,9-diacetyloxy-1,11,12-trihydroxy-10,14,17,17-tetramethyl-15-[2,2,3-trimethyl-3-(methylamino)butanoyl]oxy-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-2-yl] benzoate;methane;1,3,3,4,4-pentamethylazetidin-2-one
PubChem CID158186528
Molecular FormulaC146H201LiN2O43Si
Molecular Weight2707.21 g/mol
Exact Mass2705.35
IUPAC Namelithium;(1S,2S,4S,7R,9S,10R,11S,15S)-4,11-diacetyloxy-2-benzoyloxy-1-hydroxy-9,10,14,17,17-pentamethyl-12-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-15-olate;[(1S,2S,4S,7R,9S,10R,11S,15S)-4,11-diacetyloxy-1,15-dihydroxy-9,10,14,17,17-pentamethyl-12-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-2-yl] benzoate;[(1S,2S,4S,7R,9S,10S,11R,15S)-4,11-diacetyloxy-1,9-dihydroxy-10,14,17,17-tetramethyl-15-trimethylsilyloxy-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-2-yl] benzoate;[(1S,2S,4S,7R,9S,10R,15S)-4,9-diacetyloxy-1,11,12-trihydroxy-10,14,17,17-tetramethyl-15-[2,2,3-trimethyl-3-(methylamino)butanoyl]oxy-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-2-yl] benzoate;methane;1,3,3,4,4-pentamethylazetidin-2-one
SMILESC.CC(=O)O[C@@H]1C(=O)C2=C(C)[C@@H](O)C[C@@](O)(C(OC(=O)c3ccccc3)C3[C@@]1(C)[C@@H](C)C[C@H]1OC[C@@]31OC(C)=O)C2(C)C.CC(=O)O[C@@H]1C(=O)C2=C(C)[C@@H]([O-])C[C@@](O)(C(OC(=O)c3ccccc3)C3[C@@]1(C)[C@@H](C)C[C@H]1OC[C@@]31OC(C)=O)C2(C)C.CC(=O)O[C@@H]1CC2=C(C)[C@@H](O[Si](C)(C)C)C[C@@](O)(C(OC(=O)c3ccccc3)C3[C@@]1(C)[C@@H](O)C[C@H]1OC[C@@]31OC(C)=O)C2(C)C.CN1C(=O)C(C)(C)C1(C)C.CNC(C)(C)C(C)(C)C(=O)O[C@H]1C[C@@]2(O)C(OC(=O)c3ccccc3)C3[C@](C)(C(O)C(O)C(=C1C)C2(C)C)[C@@H](OC(C)=O)C[C@H]1OC[C@@]31OC(C)=O.[Li+]
InChIInChI=1S/C39H55NO12.C34H48O10Si.C32H40O10.C32H39O10.C8H15NO.CH4.Li/c1-20-24(50-33(46)35(6,7)36(8,9)40-11)18-39(47)31(51-32(45)23-15-13-12-14-16-23)29-37(10,30(44)28(43)27(20)34(39,4)5)25(49-21(2)41)17-26-38(29,19-48-26)52-22(3)42;1-19-23-15-26(41-20(2)35)32(6)25(37)16-27-33(18-40-27,43-21(3)36)28(32)29(42-30(38)22-13-11-10-12-14-22)34(39,31(23,4)5)17-24(19)44-45(7,8)9;2*1-16-13-22-31(15-39-22,42-19(4)34)25-27(41-28(37)20-11-9-8-10-12-20)32(38)14-21(35)17(2)23(29(32,5)6)24(36)26(30(16,25)7)40-18(3)33;1-7(2)6(10)9(5)8(7,3)4;;/h12-16,24-26,28-31,40,43-44,47H,17-19H2,1-11H3;10-14,24-29,37,39H,15-18H2,1-9H3;8-12,16,21-22,25-27,35,38H,13-15H2,1-7H3;8-12,16,21-22,25-27,38H,13-15H2,1-7H3;1-5H3;1H4;/q;;;-1;;;+1/t24-,25-,26+,28?,29?,30?,31?,37+,38-,39+;24-,25-,26+,27+,28?,29?,32-,33-,34+;2*16-,21-,22+,25?,26+,27?,30+,31-,32+;;;/m0000.../s1
InChIKeyFZEZIIDNQNIGCG-NHFGLDFPSA-N
XLogP11.48
TPSA639.43 Ų
H-Bond Donors9
H-Bond Acceptors44
Rotatable Bonds22
Heavy Atoms193
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002707.21
LogP ≤ 511.48
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1044

Analyze lithium;(1S,2S,4S,7R,9S,10R,11S,15S)-4,11-diacetyloxy-2-benzoyloxy-1-hydroxy-9,10,14,17,17-pentamethyl-12-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-15-olate;[(1S,2S,4S,7R,9S,10R,11S,15S)-4,11-diacetyloxy-1,15-dihydroxy-9,10,14,17,17-pentamethyl-12-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-2-yl] benzoate;[(1S,2S,4S,7R,9S,10S,11R,15S)-4,11-diacetyloxy-1,9-dihydroxy-10,14,17,17-tetramethyl-15-trimethylsilyloxy-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-2-yl] benzoate;[(1S,2S,4S,7R,9S,10R,15S)-4,9-diacetyloxy-1,11,12-trihydroxy-10,14,17,17-tetramethyl-15-[2,2,3-trimethyl-3-(methylamino)butanoyl]oxy-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-2-yl] benzoate;methane;1,3,3,4,4-pentamethylazetidin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Frequently Asked Questions

What is the IUPAC name of lithium;(1S,2S,4S,7R,9S,10R,11S,15S)-4,11-diacetyloxy-2-benzoyloxy-1-hydroxy-9,10,14,17,17-pentamethyl-12-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-15-olate;[(1S,2S,4S,7R,9S,10R,11S,15S)-4,11-diacetyloxy-1,15-dihydroxy-9,10,14,17,17-pentamethyl-12-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-2-yl] benzoate;[(1S,2S,4S,7R,9S,10S,11R,15S)-4,11-diacetyloxy-1,9-dihydroxy-10,14,17,17-tetramethyl-15-trimethylsilyloxy-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-2-yl] benzoate;[(1S,2S,4S,7R,9S,10R,15S)-4,9-diacetyloxy-1,11,12-trihydroxy-10,14,17,17-tetramethyl-15-[2,2,3-trimethyl-3-(methylamino)butanoyl]oxy-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-2-yl] benzoate;methane;1,3,3,4,4-pentamethylazetidin-2-one?
The IUPAC name of lithium;(1S,2S,4S,7R,9S,10R,11S,15S)-4,11-diacetyloxy-2-benzoyloxy-1-hydroxy-9,10,14,17,17-pentamethyl-12-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-15-olate;[(1S,2S,4S,7R,9S,10R,11S,15S)-4,11-diacetyloxy-1,15-dihydroxy-9,10,14,17,17-pentamethyl-12-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-2-yl] benzoate;[(1S,2S,4S,7R,9S,10S,11R,15S)-4,11-diacetyloxy-1,9-dihydroxy-10,14,17,17-tetramethyl-15-trimethylsilyloxy-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-2-yl] benzoate;[(1S,2S,4S,7R,9S,10R,15S)-4,9-diacetyloxy-1,11,12-trihydroxy-10,14,17,17-tetramethyl-15-[2,2,3-trimethyl-3-(methylamino)butanoyl]oxy-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-2-yl] benzoate;methane;1,3,3,4,4-pentamethylazetidin-2-one (CID 158186528) is lithium;(1S,2S,4S,7R,9S,10R,11S,15S)-4,11-diacetyloxy-2-benzoyloxy-1-hydroxy-9,10,14,17,17-pentamethyl-12-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-15-olate;[(1S,2S,4S,7R,9S,10R,11S,15S)-4,11-diacetyloxy-1,15-dihydroxy-9,10,14,17,17-pentamethyl-12-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-2-yl] benzoate;[(1S,2S,4S,7R,9S,10S,11R,15S)-4,11-diacetyloxy-1,9-dihydroxy-10,14,17,17-tetramethyl-15-trimethylsilyloxy-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-2-yl] benzoate;[(1S,2S,4S,7R,9S,10R,15S)-4,9-diacetyloxy-1,11,12-trihydroxy-10,14,17,17-tetramethyl-15-[2,2,3-trimethyl-3-(methylamino)butanoyl]oxy-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-2-yl] benzoate;methane;1,3,3,4,4-pentamethylazetidin-2-one.
What is the SMILES notation for lithium;(1S,2S,4S,7R,9S,10R,11S,15S)-4,11-diacetyloxy-2-benzoyloxy-1-hydroxy-9,10,14,17,17-pentamethyl-12-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-15-olate;[(1S,2S,4S,7R,9S,10R,11S,15S)-4,11-diacetyloxy-1,15-dihydroxy-9,10,14,17,17-pentamethyl-12-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-2-yl] benzoate;[(1S,2S,4S,7R,9S,10S,11R,15S)-4,11-diacetyloxy-1,9-dihydroxy-10,14,17,17-tetramethyl-15-trimethylsilyloxy-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-2-yl] benzoate;[(1S,2S,4S,7R,9S,10R,15S)-4,9-diacetyloxy-1,11,12-trihydroxy-10,14,17,17-tetramethyl-15-[2,2,3-trimethyl-3-(methylamino)butanoyl]oxy-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-2-yl] benzoate;methane;1,3,3,4,4-pentamethylazetidin-2-one?
The canonical SMILES for lithium;(1S,2S,4S,7R,9S,10R,11S,15S)-4,11-diacetyloxy-2-benzoyloxy-1-hydroxy-9,10,14,17,17-pentamethyl-12-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-15-olate;[(1S,2S,4S,7R,9S,10R,11S,15S)-4,11-diacetyloxy-1,15-dihydroxy-9,10,14,17,17-pentamethyl-12-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-2-yl] benzoate;[(1S,2S,4S,7R,9S,10S,11R,15S)-4,11-diacetyloxy-1,9-dihydroxy-10,14,17,17-tetramethyl-15-trimethylsilyloxy-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-2-yl] benzoate;[(1S,2S,4S,7R,9S,10R,15S)-4,9-diacetyloxy-1,11,12-trihydroxy-10,14,17,17-tetramethyl-15-[2,2,3-trimethyl-3-(methylamino)butanoyl]oxy-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-2-yl] benzoate;methane;1,3,3,4,4-pentamethylazetidin-2-one is C.CC(=O)O[C@@H]1C(=O)C2=C(C)[C@@H](O)C[C@@](O)(C(OC(=O)c3ccccc3)C3[C@@]1(C)[C@@H](C)C[C@H]1OC[C@@]31OC(C)=O)C2(C)C.CC(=O)O[C@@H]1C(=O)C2=C(C)[C@@H]([O-])C[C@@](O)(C(OC(=O)c3ccccc3)C3[C@@]1(C)[C@@H](C)C[C@H]1OC[C@@]31OC(C)=O)C2(C)C.CC(=O)O[C@@H]1CC2=C(C)[C@@H](O[Si](C)(C)C)C[C@@](O)(C(OC(=O)c3ccccc3)C3[C@@]1(C)[C@@H](O)C[C@H]1OC[C@@]31OC(C)=O)C2(C)C.CN1C(=O)C(C)(C)C1(C)C.CNC(C)(C)C(C)(C)C(=O)O[C@H]1C[C@@]2(O)C(OC(=O)c3ccccc3)C3[C@](C)(C(O)C(O)C(=C1C)C2(C)C)[C@@H](OC(C)=O)C[C@H]1OC[C@@]31OC(C)=O.[Li+].
What is the InChIKey of lithium;(1S,2S,4S,7R,9S,10R,11S,15S)-4,11-diacetyloxy-2-benzoyloxy-1-hydroxy-9,10,14,17,17-pentamethyl-12-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-15-olate;[(1S,2S,4S,7R,9S,10R,11S,15S)-4,11-diacetyloxy-1,15-dihydroxy-9,10,14,17,17-pentamethyl-12-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-2-yl] benzoate;[(1S,2S,4S,7R,9S,10S,11R,15S)-4,11-diacetyloxy-1,9-dihydroxy-10,14,17,17-tetramethyl-15-trimethylsilyloxy-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-2-yl] benzoate;[(1S,2S,4S,7R,9S,10R,15S)-4,9-diacetyloxy-1,11,12-trihydroxy-10,14,17,17-tetramethyl-15-[2,2,3-trimethyl-3-(methylamino)butanoyl]oxy-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-2-yl] benzoate;methane;1,3,3,4,4-pentamethylazetidin-2-one?
The InChIKey is FZEZIIDNQNIGCG-NHFGLDFPSA-N. The full InChI is InChI=1S/C39H55NO12.C34H48O10Si.C32H40O10.C32H39O10.C8H15NO.CH4.Li/c1-20-24(50-33(46)35(6,7)36(8,9)40-11)18-39(47)31(51-32(45)23-15-13-12-14-16-23)29-37(10,30(44)28(43)27(20)34(39,4)5)25(49-21(2)41)17-26-38(29,19-48-26)52-22(3)42;1-19-23-15-26(41-20(2)35)32(6)25(37)16-27-33(18-40-27,43-21(3)36)28(32)29(42-30(38)22-13-11-10-12-14-22)34(39,31(23,4)5)17-24(19)44-45(7,8)9;2*1-16-13-22-31(15-39-22,42-19(4)34)25-27(41-28(37)20-11-9-8-10-12-20)32(38)14-21(35)17(2)23(29(32,5)6)24(36)26(30(16,25)7)40-18(3)33;1-7(2)6(10)9(5)8(7,3)4;;/h12-16,24-26,28-31,40,43-44,47H,17-19H2,1-11H3;10-14,24-29,37,39H,15-18H2,1-9H3;8-12,16,21-22,25-27,35,38H,13-15H2,1-7H3;8-12,16,21-22,25-27,38H,13-15H2,1-7H3;1-5H3;1H4;/q;;;-1;;;+1/t24-,25-,26+,28?,29?,30?,31?,37+,38-,39+;24-,25-,26+,27+,28?,29?,32-,33-,34+;2*16-,21-,22+,25?,26+,27?,30+,31-,32+;;;/m0000.../s1.
What are the key properties of lithium;(1S,2S,4S,7R,9S,10R,11S,15S)-4,11-diacetyloxy-2-benzoyloxy-1-hydroxy-9,10,14,17,17-pentamethyl-12-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-15-olate;[(1S,2S,4S,7R,9S,10R,11S,15S)-4,11-diacetyloxy-1,15-dihydroxy-9,10,14,17,17-pentamethyl-12-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-2-yl] benzoate;[(1S,2S,4S,7R,9S,10S,11R,15S)-4,11-diacetyloxy-1,9-dihydroxy-10,14,17,17-tetramethyl-15-trimethylsilyloxy-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-2-yl] benzoate;[(1S,2S,4S,7R,9S,10R,15S)-4,9-diacetyloxy-1,11,12-trihydroxy-10,14,17,17-tetramethyl-15-[2,2,3-trimethyl-3-(methylamino)butanoyl]oxy-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-2-yl] benzoate;methane;1,3,3,4,4-pentamethylazetidin-2-one?
lithium;(1S,2S,4S,7R,9S,10R,11S,15S)-4,11-diacetyloxy-2-benzoyloxy-1-hydroxy-9,10,14,17,17-pentamethyl-12-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-15-olate;[(1S,2S,4S,7R,9S,10R,11S,15S)-4,11-diacetyloxy-1,15-dihydroxy-9,10,14,17,17-pentamethyl-12-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-2-yl] benzoate;[(1S,2S,4S,7R,9S,10S,11R,15S)-4,11-diacetyloxy-1,9-dihydroxy-10,14,17,17-tetramethyl-15-trimethylsilyloxy-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-2-yl] benzoate;[(1S,2S,4S,7R,9S,10R,15S)-4,9-diacetyloxy-1,11,12-trihydroxy-10,14,17,17-tetramethyl-15-[2,2,3-trimethyl-3-(methylamino)butanoyl]oxy-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-2-yl] benzoate;methane;1,3,3,4,4-pentamethylazetidin-2-one has a molecular weight of 2707.21 g/mol, XLogP of 11.48, 22 rotatable bonds, 9 hydrogen bond donors, and 44 hydrogen bond acceptors.
Where does this data come from?
All data for lithium;(1S,2S,4S,7R,9S,10R,11S,15S)-4,11-diacetyloxy-2-benzoyloxy-1-hydroxy-9,10,14,17,17-pentamethyl-12-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-15-olate;[(1S,2S,4S,7R,9S,10R,11S,15S)-4,11-diacetyloxy-1,15-dihydroxy-9,10,14,17,17-pentamethyl-12-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-2-yl] benzoate;[(1S,2S,4S,7R,9S,10S,11R,15S)-4,11-diacetyloxy-1,9-dihydroxy-10,14,17,17-tetramethyl-15-trimethylsilyloxy-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-2-yl] benzoate;[(1S,2S,4S,7R,9S,10R,15S)-4,9-diacetyloxy-1,11,12-trihydroxy-10,14,17,17-tetramethyl-15-[2,2,3-trimethyl-3-(methylamino)butanoyl]oxy-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-2-yl] benzoate;methane;1,3,3,4,4-pentamethylazetidin-2-one is sourced from PubChem (CID 158186528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).