[(1S,2S,3R,4S,7R,9S,10R,12R,15S)-4-acetyloxy-12-(cyclopropanecarbonyloxy)-1,15-dihydroxy-9,10,14,17,17-pentamethyl-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-2-yl] 3-(trifluoromethoxy)benzoate;[(1S,2S,3R,4S,7R,9S,10R,12R,15S)-4-acetyloxy-12-(cyclopropanecarbonyloxy)-1-hydroxy-15-[(2R,3S)-2-hydroxy-5-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoyl]oxy-9,10,14,17,17-pentamethyl-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-2-yl] 3-(trifluoromethoxy)benzoate;[(1S,2S,3R,4S,7R,9S,10R,12R,15S)-4-acetyloxy-12-(cyclopropanecarbonyloxy)-1-hydroxy-15-[(2R,3S)-2-hydroxy-5-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]hex-4-enoyl]oxy-9,10,14,17,17-pentamethyl-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-2-yl] 3-(trifluoromethoxy)benzoate;[(1S,2S,3R,4S,7R,9S,10R,12R,15S)-4-acetyloxy-12-(cyclopropanecarbonyloxy)-1-hydroxy-9,10,14,17,17-pentamethyl-15-[(2R,3S)-5-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]-2-tri(propan-2-yl)silyloxyhex-4-enoyl]oxy-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-2-yl] 3-(trifluoromethoxy)benzoate;tert-butyl (2S,3R)-3-methyl-2-(2-methylprop-1-enyl)-4-oxoazetidine-1-carboxylate

C198H264F12N4O59Si — CID 159698500

IUPAC[(1S,2S,3R,4S,7R,9S,10R,12R,15S)-4-acetyloxy-12-(cyclopropanecarbonyloxy)-1,15-dihydroxy-9,10,14,17,17-pentamethyl-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-2-yl] 3-(trifluoromethoxy)benzoate;[(1S,2S,3R,4S,7R,9S,10R,12R,15S)-4-acetyloxy-12-(cyclopropanecarbonyloxy)-1-hydroxy-15-[(2R,3S)-2-hydroxy-5-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoyl]oxy-9,10,14,17,17-pentamethyl-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-2-yl] 3-(trifluoromethoxy)benzoate;[(1S,2S,3R,4S,7R,9S,10R,12R,15S)-4-acetyloxy-12-(cyclopropanecarbonyloxy)-1-hydroxy-15-[(2R,3S)-2-hydroxy-5-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]hex-4-enoyl]oxy-9,10,14,17,17-pentamethyl-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-2-yl] 3-(trifluoromethoxy)benzoate;[(1S,2S,3R,4S,7R,9S,10R,12R,15S)-4-acetyloxy-12-(cyclopropanecarbonyloxy)-1-hydroxy-9,10,14,17,17-pentamethyl-15-[(2R,3S)-5-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]-2-tri(propan-2-yl)silyloxyhex-4-enoyl]oxy-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-2-yl] 3-(trifluoromethoxy)benzoate;tert-butyl (2S,3R)-3-methyl-2-(2-methylprop-1-enyl)-4-oxoazetidine-1-carboxylate
SMILESCC(=O)O[C@@]12CO[C@@H]1C[C@H](C)[C@@]1(C)C(=O)[C@H](OC(=O)C3CC3)C3=C(C)[C@@H](O)C[C@@](O)([C@@H](OC(=O)c4cccc(OC(F)(F)F)c4)[C@H]21)C3(C)C.CC(=O)O[C@@]12CO[C@@H]1C[C@H](C)[C@@]1(C)C(=O)[C@H](OC(=O)C3CC3)C3=C(C)[C@@H](OC(=O)[C@H](O)[C@H](C=C(C)C)NC(=O)OC(C)(C)C)C[C@@](O)([C@@H](OC(=O)c4cccc(OC(F)(F)F)c4)[C@H]21)C3(C)C.CC(=O)O[C@@]12CO[C@@H]1C[C@H](C)[C@@]1(C)C(=O)[C@H](OC(=O)C3CC3)C3=C(C)[C@@H](OC(=O)[C@H](O)[C@H](CC(C)C)NC(=O)OC(C)(C)C)C[C@@](O)([C@@H](OC(=O)c4cccc(OC(F)(F)F)c4)[C@H]21)C3(C)C.CC(=O)O[C@@]12CO[C@@H]1C[C@H](C)[C@@]1(C)C(=O)[C@H](OC(=O)C3CC3)C3=C(C)[C@@H](OC(=O)[C@H](O[Si](C(C)C)(C(C)C)C(C)C)[C@H](C=C(C)C)NC(=O)OC(C)(C)C)C[C@@](O)([C@@H](OC(=O)c4cccc(OC(F)(F)F)c4)[C@H]21)C3(C)C.CC(C)=C[C@H]1[C@@H](C)C(=O)N1C(=O)OC(C)(C)C
InChIInChI=1S/C56H80F3NO15Si.C47H62F3NO15.C47H60F3NO15.C35H41F3O11.C13H21NO3/c1-28(2)23-38(60-50(66)74-51(12,13)14)42(75-76(29(3)4,30(5)6)31(7)8)49(65)69-39-26-55(67)46(71-48(64)36-19-18-20-37(25-36)73-56(57,58)59)44-53(17,32(9)24-40-54(44,27-68-40)72-34(11)61)45(62)43(70-47(63)35-21-22-35)41(33(39)10)52(55,15)16;2*1-22(2)17-29(51-41(58)66-42(6,7)8)33(53)40(57)61-30-20-46(59)37(63-39(56)27-13-12-14-28(19-27)65-47(48,49)50)35-44(11,23(3)18-31-45(35,21-60-31)64-25(5)52)36(54)34(62-38(55)26-15-16-26)32(24(30)4)43(46,9)10;1-16-12-23-33(15-45-23,48-18(3)39)26-28(47-30(43)20-8-7-9-21(13-20)49-35(36,37)38)34(44)14-22(40)17(2)24(31(34,4)5)25(27(41)32(16,26)6)46-29(42)19-10-11-19;1-8(2)7-10-9(3)11(15)14(10)12(16)17-13(4,5)6/h18-20,23,25,29-32,35,38-40,42-44,46,67H,21-22,24,26-27H2,1-17H3,(H,60,66);12-14,19,22-23,26,29-31,33-35,37,53,59H,15-18,20-21H2,1-11H3,(H,51,58);12-14,17,19,23,26,29-31,33-35,37,53,59H,15-16,18,20-21H2,1-11H3,(H,51,58);7-9,13,16,19,22-23,25-26,28,40,44H,10-12,14-15H2,1-6H3;7,9-10H,1-6H3/t32-,38-,39-,40+,42+,43+,44-,46-,53+,54-,55+;2*23-,29-,30-,31+,33+,34+,35-,37-,44+,45-,46+;16-,22-,23+,25+,26-,28-,32+,33-,34+;9-,10+/m00001/s1
InChIKeyMXHZRHLXXDWACW-CLNRXSDZSA-N
MW3900.32 g/mol
LogP29.19
Rot. Bonds46

About [(1S,2S,3R,4S,7R,9S,10R,12R,15S)-4-acetyloxy-12-(cyclopropanecarbonyloxy)-1,15-dihydroxy-9,10,14,17,17-pentamethyl-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-2-yl] 3-(trifluoromethoxy)benzoate;[(1S,2S,3R,4S,7R,9S,10R,12R,15S)-4-acetyloxy-12-(cyclopropanecarbonyloxy)-1-hydroxy-15-[(2R,3S)-2-hydroxy-5-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoyl]oxy-9,10,14,17,17-pentamethyl-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-2-yl] 3-(trifluoromethoxy)benzoate;[(1S,2S,3R,4S,7R,9S,10R,12R,15S)-4-acetyloxy-12-(cyclopropanecarbonyloxy)-1-hydroxy-15-[(2R,3S)-2-hydroxy-5-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]hex-4-enoyl]oxy-9,10,14,17,17-pentamethyl-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-2-yl] 3-(trifluoromethoxy)benzoate;[(1S,2S,3R,4S,7R,9S,10R,12R,15S)-4-acetyloxy-12-(cyclopropanecarbonyloxy)-1-hydroxy-9,10,14,17,17-pentamethyl-15-[(2R,3S)-5-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]-2-tri(propan-2-yl)silyloxyhex-4-enoyl]oxy-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-2-yl] 3-(trifluoromethoxy)benzoate;tert-butyl (2S,3R)-3-methyl-2-(2-methylprop-1-enyl)-4-oxoazetidine-1-carboxylate

[(1S,2S,3R,4S,7R,9S,10R,12R,15S)-4-acetyloxy-12-(cyclopropanecarbonyloxy)-1,15-dihydroxy-9,10,14,17,17-pentamethyl-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-2-yl] 3-(trifluoromethoxy)benzoate;[(1S,2S,3R,4S,7R,9S,10R,12R,15S)-4-acetyloxy-12-(cyclopropanecarbonyloxy)-1-hydroxy-15-[(2R,3S)-2-hydroxy-5-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoyl]oxy-9,10,14,17,17-pentamethyl-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-2-yl] 3-(trifluoromethoxy)benzoate;[(1S,2S,3R,4S,7R,9S,10R,12R,15S)-4-acetyloxy-12-(cyclopropanecarbonyloxy)-1-hydroxy-15-[(2R,3S)-2-hydroxy-5-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]hex-4-enoyl]oxy-9,10,14,17,17-pentamethyl-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-2-yl] 3-(trifluoromethoxy)benzoate;[(1S,2S,3R,4S,7R,9S,10R,12R,15S)-4-acetyloxy-12-(cyclopropanecarbonyloxy)-1-hydroxy-9,10,14,17,17-pentamethyl-15-[(2R,3S)-5-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]-2-tri(propan-2-yl)silyloxyhex-4-enoyl]oxy-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-2-yl] 3-(trifluoromethoxy)benzoate;tert-butyl (2S,3R)-3-methyl-2-(2-methylprop-1-enyl)-4-oxoazetidine-1-carboxylate (PubChem CID 159698500) has the molecular formula C198H264F12N4O59Si and a molecular weight of 3900.32 g/mol. Its IUPAC name is [(1S,2S,3R,4S,7R,9S,10R,12R,15S)-4-acetyloxy-12-(cyclopropanecarbonyloxy)-1,15-dihydroxy-9,10,14,17,17-pentamethyl-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-2-yl] 3-(trifluoromethoxy)benzoate;[(1S,2S,3R,4S,7R,9S,10R,12R,15S)-4-acetyloxy-12-(cyclopropanecarbonyloxy)-1-hydroxy-15-[(2R,3S)-2-hydroxy-5-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoyl]oxy-9,10,14,17,17-pentamethyl-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-2-yl] 3-(trifluoromethoxy)benzoate;[(1S,2S,3R,4S,7R,9S,10R,12R,15S)-4-acetyloxy-12-(cyclopropanecarbonyloxy)-1-hydroxy-15-[(2R,3S)-2-hydroxy-5-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]hex-4-enoyl]oxy-9,10,14,17,17-pentamethyl-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-2-yl] 3-(trifluoromethoxy)benzoate;[(1S,2S,3R,4S,7R,9S,10R,12R,15S)-4-acetyloxy-12-(cyclopropanecarbonyloxy)-1-hydroxy-9,10,14,17,17-pentamethyl-15-[(2R,3S)-5-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]-2-tri(propan-2-yl)silyloxyhex-4-enoyl]oxy-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-2-yl] 3-(trifluoromethoxy)benzoate;tert-butyl (2S,3R)-3-methyl-2-(2-methylprop-1-enyl)-4-oxoazetidine-1-carboxylate.

Molecular Properties

Compound Name[(1S,2S,3R,4S,7R,9S,10R,12R,15S)-4-acetyloxy-12-(cyclopropanecarbonyloxy)-1,15-dihydroxy-9,10,14,17,17-pentamethyl-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-2-yl] 3-(trifluoromethoxy)benzoate;[(1S,2S,3R,4S,7R,9S,10R,12R,15S)-4-acetyloxy-12-(cyclopropanecarbonyloxy)-1-hydroxy-15-[(2R,3S)-2-hydroxy-5-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoyl]oxy-9,10,14,17,17-pentamethyl-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-2-yl] 3-(trifluoromethoxy)benzoate;[(1S,2S,3R,4S,7R,9S,10R,12R,15S)-4-acetyloxy-12-(cyclopropanecarbonyloxy)-1-hydroxy-15-[(2R,3S)-2-hydroxy-5-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]hex-4-enoyl]oxy-9,10,14,17,17-pentamethyl-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-2-yl] 3-(trifluoromethoxy)benzoate;[(1S,2S,3R,4S,7R,9S,10R,12R,15S)-4-acetyloxy-12-(cyclopropanecarbonyloxy)-1-hydroxy-9,10,14,17,17-pentamethyl-15-[(2R,3S)-5-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]-2-tri(propan-2-yl)silyloxyhex-4-enoyl]oxy-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-2-yl] 3-(trifluoromethoxy)benzoate;tert-butyl (2S,3R)-3-methyl-2-(2-methylprop-1-enyl)-4-oxoazetidine-1-carboxylate
PubChem CID159698500
Molecular FormulaC198H264F12N4O59Si
Molecular Weight3900.32 g/mol
Exact Mass3897.74
IUPAC Name[(1S,2S,3R,4S,7R,9S,10R,12R,15S)-4-acetyloxy-12-(cyclopropanecarbonyloxy)-1,15-dihydroxy-9,10,14,17,17-pentamethyl-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-2-yl] 3-(trifluoromethoxy)benzoate;[(1S,2S,3R,4S,7R,9S,10R,12R,15S)-4-acetyloxy-12-(cyclopropanecarbonyloxy)-1-hydroxy-15-[(2R,3S)-2-hydroxy-5-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoyl]oxy-9,10,14,17,17-pentamethyl-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-2-yl] 3-(trifluoromethoxy)benzoate;[(1S,2S,3R,4S,7R,9S,10R,12R,15S)-4-acetyloxy-12-(cyclopropanecarbonyloxy)-1-hydroxy-15-[(2R,3S)-2-hydroxy-5-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]hex-4-enoyl]oxy-9,10,14,17,17-pentamethyl-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-2-yl] 3-(trifluoromethoxy)benzoate;[(1S,2S,3R,4S,7R,9S,10R,12R,15S)-4-acetyloxy-12-(cyclopropanecarbonyloxy)-1-hydroxy-9,10,14,17,17-pentamethyl-15-[(2R,3S)-5-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]-2-tri(propan-2-yl)silyloxyhex-4-enoyl]oxy-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-2-yl] 3-(trifluoromethoxy)benzoate;tert-butyl (2S,3R)-3-methyl-2-(2-methylprop-1-enyl)-4-oxoazetidine-1-carboxylate
SMILESCC(=O)O[C@@]12CO[C@@H]1C[C@H](C)[C@@]1(C)C(=O)[C@H](OC(=O)C3CC3)C3=C(C)[C@@H](O)C[C@@](O)([C@@H](OC(=O)c4cccc(OC(F)(F)F)c4)[C@H]21)C3(C)C.CC(=O)O[C@@]12CO[C@@H]1C[C@H](C)[C@@]1(C)C(=O)[C@H](OC(=O)C3CC3)C3=C(C)[C@@H](OC(=O)[C@H](O)[C@H](C=C(C)C)NC(=O)OC(C)(C)C)C[C@@](O)([C@@H](OC(=O)c4cccc(OC(F)(F)F)c4)[C@H]21)C3(C)C.CC(=O)O[C@@]12CO[C@@H]1C[C@H](C)[C@@]1(C)C(=O)[C@H](OC(=O)C3CC3)C3=C(C)[C@@H](OC(=O)[C@H](O)[C@H](CC(C)C)NC(=O)OC(C)(C)C)C[C@@](O)([C@@H](OC(=O)c4cccc(OC(F)(F)F)c4)[C@H]21)C3(C)C.CC(=O)O[C@@]12CO[C@@H]1C[C@H](C)[C@@]1(C)C(=O)[C@H](OC(=O)C3CC3)C3=C(C)[C@@H](OC(=O)[C@H](O[Si](C(C)C)(C(C)C)C(C)C)[C@H](C=C(C)C)NC(=O)OC(C)(C)C)C[C@@](O)([C@@H](OC(=O)c4cccc(OC(F)(F)F)c4)[C@H]21)C3(C)C.CC(C)=C[C@H]1[C@@H](C)C(=O)N1C(=O)OC(C)(C)C
InChIInChI=1S/C56H80F3NO15Si.C47H62F3NO15.C47H60F3NO15.C35H41F3O11.C13H21NO3/c1-28(2)23-38(60-50(66)74-51(12,13)14)42(75-76(29(3)4,30(5)6)31(7)8)49(65)69-39-26-55(67)46(71-48(64)36-19-18-20-37(25-36)73-56(57,58)59)44-53(17,32(9)24-40-54(44,27-68-40)72-34(11)61)45(62)43(70-47(63)35-21-22-35)41(33(39)10)52(55,15)16;2*1-22(2)17-29(51-41(58)66-42(6,7)8)33(53)40(57)61-30-20-46(59)37(63-39(56)27-13-12-14-28(19-27)65-47(48,49)50)35-44(11,23(3)18-31-45(35,21-60-31)64-25(5)52)36(54)34(62-38(55)26-15-16-26)32(24(30)4)43(46,9)10;1-16-12-23-33(15-45-23,48-18(3)39)26-28(47-30(43)20-8-7-9-21(13-20)49-35(36,37)38)34(44)14-22(40)17(2)24(31(34,4)5)25(27(41)32(16,26)6)46-29(42)19-10-11-19;1-8(2)7-10-9(3)11(15)14(10)12(16)17-13(4,5)6/h18-20,23,25,29-32,35,38-40,42-44,46,67H,21-22,24,26-27H2,1-17H3,(H,60,66);12-14,19,22-23,26,29-31,33-35,37,53,59H,15-18,20-21H2,1-11H3,(H,51,58);12-14,17,19,23,26,29-31,33-35,37,53,59H,15-16,18,20-21H2,1-11H3,(H,51,58);7-9,13,16,19,22-23,25-26,28,40,44H,10-12,14-15H2,1-6H3;7,9-10H,1-6H3/t32-,38-,39-,40+,42+,43+,44-,46-,53+,54-,55+;2*23-,29-,30-,31+,33+,34+,35-,37-,44+,45-,46+;16-,22-,23+,25+,26-,28-,32+,33-,34+;9-,10+/m00001/s1
InChIKeyMXHZRHLXXDWACW-CLNRXSDZSA-N
XLogP29.19
TPSA849.06 Ų
H-Bond Donors10
H-Bond Acceptors59
Rotatable Bonds46
Heavy Atoms274
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003900.32
LogP ≤ 529.19
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1059

Analyze [(1S,2S,3R,4S,7R,9S,10R,12R,15S)-4-acetyloxy-12-(cyclopropanecarbonyloxy)-1,15-dihydroxy-9,10,14,17,17-pentamethyl-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-2-yl] 3-(trifluoromethoxy)benzoate;[(1S,2S,3R,4S,7R,9S,10R,12R,15S)-4-acetyloxy-12-(cyclopropanecarbonyloxy)-1-hydroxy-15-[(2R,3S)-2-hydroxy-5-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoyl]oxy-9,10,14,17,17-pentamethyl-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-2-yl] 3-(trifluoromethoxy)benzoate;[(1S,2S,3R,4S,7R,9S,10R,12R,15S)-4-acetyloxy-12-(cyclopropanecarbonyloxy)-1-hydroxy-15-[(2R,3S)-2-hydroxy-5-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]hex-4-enoyl]oxy-9,10,14,17,17-pentamethyl-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-2-yl] 3-(trifluoromethoxy)benzoate;[(1S,2S,3R,4S,7R,9S,10R,12R,15S)-4-acetyloxy-12-(cyclopropanecarbonyloxy)-1-hydroxy-9,10,14,17,17-pentamethyl-15-[(2R,3S)-5-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]-2-tri(propan-2-yl)silyloxyhex-4-enoyl]oxy-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-2-yl] 3-(trifluoromethoxy)benzoate;tert-butyl (2S,3R)-3-methyl-2-(2-methylprop-1-enyl)-4-oxoazetidine-1-carboxylate with MolForge

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Related Compounds

[(1S,2S,3R,4S,7R,9S,10S,12R,15S)-4-acetyloxy-12-(cyclopropanecarbonyloxy)-1-hydroxy-15-[(2R,3S)-2-hydroxy-5-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoyl]oxy-10,14,17,17-tetramethyl-11-oxo-9-triethylsilyloxy-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-2-yl] 3-(trifluoromethoxy)benzoate
CID 140885286
[(1S,2S,3R,4S,7R,9S,10S,12R,15S)-4-acetyloxy-12-(cyclohexanecarbonyloxy)-1-hydroxy-10,14,17,17-tetramethyl-15-[(2R,3S)-5-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]-2-tri(propan-2-yl)silyloxyhex-4-enoyl]oxy-11-oxo-9-triethylsilyloxy-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-2-yl] benzoate
CID 10534333
[(1S,2S,3R,4S,7R,9S,10S,12R,15S)-4-acetyloxy-1-hydroxy-10,14,17,17-tetramethyl-12-(3-methylbutanoyloxy)-15-[(2R,3S)-5-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]-2-tri(propan-2-yl)silyloxyhex-4-enoyl]oxy-11-oxo-9-triethylsilyloxy-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-2-yl] benzoate
CID 10630071
[(1S,2S,3R,4S,7R,9S,10S,12R,15S)-4-acetyloxy-1,9-dihydroxy-15-[(2R,3S)-2-hydroxy-5-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]hex-4-enoyl]oxy-10,14,17,17-tetramethyl-11-oxo-12-propanoyloxy-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-2-yl] 3-fluorobenzoate
CID 12050410
[(1S,2S,3R,4S,7R,9S,10S,12R,15S)-4-acetyloxy-2-benzoyloxy-1-hydroxy-10,14,17,17-tetramethyl-15-[(2R,3S)-5-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]-2-tri(propan-2-yl)silyloxyhex-4-enoyl]oxy-11-oxo-9-triethylsilyloxy-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-12-yl] morpholine-4-carboxylate
CID 10677790
[(1S,2S,3R,4S,7R,9S,10S,12R,15S)-4-acetyloxy-12-(cyclohexanecarbonyloxy)-1,9-dihydroxy-15-[(2R,3S)-2-hydroxy-5-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]hex-4-enoyl]oxy-10,14,17,17-tetramethyl-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-2-yl] benzoate
CID 11803820
[(1S,4S,7R,9S,10S,12R,15S)-4,12-diacetyloxy-1,9-dihydroxy-15-[(2R,3S)-2-hydroxy-5-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]hex-4-enoyl]oxy-10,14,17,17-tetramethyl-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-2-yl] benzoate
CID 18390859
[(1S,2S,3R,4S,7R,9S,10S,12R,15S)-4-acetyloxy-2-benzoyloxy-1-hydroxy-10,14,17,17-tetramethyl-9-[3-(methyldisulfanyl)propanoyloxy]-15-[(2R,3S)-5-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]-2-tri(propan-2-yl)silyloxyhex-4-enoyl]oxy-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-12-yl] morpholine-4-carboxylate
CID 10909357
[(1S,2S,3R,4S,7R,9S,10S,12R,15S)-4,12-diacetyloxy-1,9-dihydroxy-15-[(2R,3S)-2-hydroxy-5-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]hex-4-enoyl]oxy-10,14,17,17-tetramethyl-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-2-yl] 3-(methyldisulfanyl)benzoate
CID 10975029
[(1S,2S,3R,4R,8R,10S,11S,13R,16S)-4-acetyloxy-13-(cyclopropanecarbonyloxy)-1,10-dihydroxy-16-[(2R,3S)-2-hydroxy-5-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]hex-4-enoyl]oxy-11,15,18,18-tetramethyl-12-oxo-7-oxatetracyclo[12.3.1.03,11.04,8]octadec-14-en-2-yl] benzoate
CID 90683300
[(1S,4S,7R,9S,10S,12R,15S)-4-acetyloxy-12-(cyclopropanecarbonyloxy)-1,9-dihydroxy-10,14,17,17-tetramethyl-15-[(2R,3S)-5-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]-2-[(8Z,11Z,14Z)-octadeca-8,11,14-trienoyl]oxyhexanoyl]oxy-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-2-yl] benzoate
CID 42620907
[(1S,2S,4S,7R,9S,10R,12R,15S)-4-acetyloxy-1,12-dihydroxy-15-[(2R,3S)-2-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropanoyl]oxy-9,10,14,17,17-pentamethyl-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-2-yl] benzoate
CID 147832190

Frequently Asked Questions

What is the IUPAC name of [(1S,2S,3R,4S,7R,9S,10R,12R,15S)-4-acetyloxy-12-(cyclopropanecarbonyloxy)-1,15-dihydroxy-9,10,14,17,17-pentamethyl-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-2-yl] 3-(trifluoromethoxy)benzoate;[(1S,2S,3R,4S,7R,9S,10R,12R,15S)-4-acetyloxy-12-(cyclopropanecarbonyloxy)-1-hydroxy-15-[(2R,3S)-2-hydroxy-5-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoyl]oxy-9,10,14,17,17-pentamethyl-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-2-yl] 3-(trifluoromethoxy)benzoate;[(1S,2S,3R,4S,7R,9S,10R,12R,15S)-4-acetyloxy-12-(cyclopropanecarbonyloxy)-1-hydroxy-15-[(2R,3S)-2-hydroxy-5-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]hex-4-enoyl]oxy-9,10,14,17,17-pentamethyl-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-2-yl] 3-(trifluoromethoxy)benzoate;[(1S,2S,3R,4S,7R,9S,10R,12R,15S)-4-acetyloxy-12-(cyclopropanecarbonyloxy)-1-hydroxy-9,10,14,17,17-pentamethyl-15-[(2R,3S)-5-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]-2-tri(propan-2-yl)silyloxyhex-4-enoyl]oxy-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-2-yl] 3-(trifluoromethoxy)benzoate;tert-butyl (2S,3R)-3-methyl-2-(2-methylprop-1-enyl)-4-oxoazetidine-1-carboxylate?
The IUPAC name of [(1S,2S,3R,4S,7R,9S,10R,12R,15S)-4-acetyloxy-12-(cyclopropanecarbonyloxy)-1,15-dihydroxy-9,10,14,17,17-pentamethyl-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-2-yl] 3-(trifluoromethoxy)benzoate;[(1S,2S,3R,4S,7R,9S,10R,12R,15S)-4-acetyloxy-12-(cyclopropanecarbonyloxy)-1-hydroxy-15-[(2R,3S)-2-hydroxy-5-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoyl]oxy-9,10,14,17,17-pentamethyl-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-2-yl] 3-(trifluoromethoxy)benzoate;[(1S,2S,3R,4S,7R,9S,10R,12R,15S)-4-acetyloxy-12-(cyclopropanecarbonyloxy)-1-hydroxy-15-[(2R,3S)-2-hydroxy-5-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]hex-4-enoyl]oxy-9,10,14,17,17-pentamethyl-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-2-yl] 3-(trifluoromethoxy)benzoate;[(1S,2S,3R,4S,7R,9S,10R,12R,15S)-4-acetyloxy-12-(cyclopropanecarbonyloxy)-1-hydroxy-9,10,14,17,17-pentamethyl-15-[(2R,3S)-5-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]-2-tri(propan-2-yl)silyloxyhex-4-enoyl]oxy-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-2-yl] 3-(trifluoromethoxy)benzoate;tert-butyl (2S,3R)-3-methyl-2-(2-methylprop-1-enyl)-4-oxoazetidine-1-carboxylate (CID 159698500) is [(1S,2S,3R,4S,7R,9S,10R,12R,15S)-4-acetyloxy-12-(cyclopropanecarbonyloxy)-1,15-dihydroxy-9,10,14,17,17-pentamethyl-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-2-yl] 3-(trifluoromethoxy)benzoate;[(1S,2S,3R,4S,7R,9S,10R,12R,15S)-4-acetyloxy-12-(cyclopropanecarbonyloxy)-1-hydroxy-15-[(2R,3S)-2-hydroxy-5-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoyl]oxy-9,10,14,17,17-pentamethyl-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-2-yl] 3-(trifluoromethoxy)benzoate;[(1S,2S,3R,4S,7R,9S,10R,12R,15S)-4-acetyloxy-12-(cyclopropanecarbonyloxy)-1-hydroxy-15-[(2R,3S)-2-hydroxy-5-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]hex-4-enoyl]oxy-9,10,14,17,17-pentamethyl-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-2-yl] 3-(trifluoromethoxy)benzoate;[(1S,2S,3R,4S,7R,9S,10R,12R,15S)-4-acetyloxy-12-(cyclopropanecarbonyloxy)-1-hydroxy-9,10,14,17,17-pentamethyl-15-[(2R,3S)-5-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]-2-tri(propan-2-yl)silyloxyhex-4-enoyl]oxy-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-2-yl] 3-(trifluoromethoxy)benzoate;tert-butyl (2S,3R)-3-methyl-2-(2-methylprop-1-enyl)-4-oxoazetidine-1-carboxylate.
What is the SMILES notation for [(1S,2S,3R,4S,7R,9S,10R,12R,15S)-4-acetyloxy-12-(cyclopropanecarbonyloxy)-1,15-dihydroxy-9,10,14,17,17-pentamethyl-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-2-yl] 3-(trifluoromethoxy)benzoate;[(1S,2S,3R,4S,7R,9S,10R,12R,15S)-4-acetyloxy-12-(cyclopropanecarbonyloxy)-1-hydroxy-15-[(2R,3S)-2-hydroxy-5-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoyl]oxy-9,10,14,17,17-pentamethyl-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-2-yl] 3-(trifluoromethoxy)benzoate;[(1S,2S,3R,4S,7R,9S,10R,12R,15S)-4-acetyloxy-12-(cyclopropanecarbonyloxy)-1-hydroxy-15-[(2R,3S)-2-hydroxy-5-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]hex-4-enoyl]oxy-9,10,14,17,17-pentamethyl-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-2-yl] 3-(trifluoromethoxy)benzoate;[(1S,2S,3R,4S,7R,9S,10R,12R,15S)-4-acetyloxy-12-(cyclopropanecarbonyloxy)-1-hydroxy-9,10,14,17,17-pentamethyl-15-[(2R,3S)-5-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]-2-tri(propan-2-yl)silyloxyhex-4-enoyl]oxy-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-2-yl] 3-(trifluoromethoxy)benzoate;tert-butyl (2S,3R)-3-methyl-2-(2-methylprop-1-enyl)-4-oxoazetidine-1-carboxylate?
The canonical SMILES for [(1S,2S,3R,4S,7R,9S,10R,12R,15S)-4-acetyloxy-12-(cyclopropanecarbonyloxy)-1,15-dihydroxy-9,10,14,17,17-pentamethyl-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-2-yl] 3-(trifluoromethoxy)benzoate;[(1S,2S,3R,4S,7R,9S,10R,12R,15S)-4-acetyloxy-12-(cyclopropanecarbonyloxy)-1-hydroxy-15-[(2R,3S)-2-hydroxy-5-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoyl]oxy-9,10,14,17,17-pentamethyl-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-2-yl] 3-(trifluoromethoxy)benzoate;[(1S,2S,3R,4S,7R,9S,10R,12R,15S)-4-acetyloxy-12-(cyclopropanecarbonyloxy)-1-hydroxy-15-[(2R,3S)-2-hydroxy-5-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]hex-4-enoyl]oxy-9,10,14,17,17-pentamethyl-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-2-yl] 3-(trifluoromethoxy)benzoate;[(1S,2S,3R,4S,7R,9S,10R,12R,15S)-4-acetyloxy-12-(cyclopropanecarbonyloxy)-1-hydroxy-9,10,14,17,17-pentamethyl-15-[(2R,3S)-5-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]-2-tri(propan-2-yl)silyloxyhex-4-enoyl]oxy-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-2-yl] 3-(trifluoromethoxy)benzoate;tert-butyl (2S,3R)-3-methyl-2-(2-methylprop-1-enyl)-4-oxoazetidine-1-carboxylate is CC(=O)O[C@@]12CO[C@@H]1C[C@H](C)[C@@]1(C)C(=O)[C@H](OC(=O)C3CC3)C3=C(C)[C@@H](O)C[C@@](O)([C@@H](OC(=O)c4cccc(OC(F)(F)F)c4)[C@H]21)C3(C)C.CC(=O)O[C@@]12CO[C@@H]1C[C@H](C)[C@@]1(C)C(=O)[C@H](OC(=O)C3CC3)C3=C(C)[C@@H](OC(=O)[C@H](O)[C@H](C=C(C)C)NC(=O)OC(C)(C)C)C[C@@](O)([C@@H](OC(=O)c4cccc(OC(F)(F)F)c4)[C@H]21)C3(C)C.CC(=O)O[C@@]12CO[C@@H]1C[C@H](C)[C@@]1(C)C(=O)[C@H](OC(=O)C3CC3)C3=C(C)[C@@H](OC(=O)[C@H](O)[C@H](CC(C)C)NC(=O)OC(C)(C)C)C[C@@](O)([C@@H](OC(=O)c4cccc(OC(F)(F)F)c4)[C@H]21)C3(C)C.CC(=O)O[C@@]12CO[C@@H]1C[C@H](C)[C@@]1(C)C(=O)[C@H](OC(=O)C3CC3)C3=C(C)[C@@H](OC(=O)[C@H](O[Si](C(C)C)(C(C)C)C(C)C)[C@H](C=C(C)C)NC(=O)OC(C)(C)C)C[C@@](O)([C@@H](OC(=O)c4cccc(OC(F)(F)F)c4)[C@H]21)C3(C)C.CC(C)=C[C@H]1[C@@H](C)C(=O)N1C(=O)OC(C)(C)C.
What is the InChIKey of [(1S,2S,3R,4S,7R,9S,10R,12R,15S)-4-acetyloxy-12-(cyclopropanecarbonyloxy)-1,15-dihydroxy-9,10,14,17,17-pentamethyl-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-2-yl] 3-(trifluoromethoxy)benzoate;[(1S,2S,3R,4S,7R,9S,10R,12R,15S)-4-acetyloxy-12-(cyclopropanecarbonyloxy)-1-hydroxy-15-[(2R,3S)-2-hydroxy-5-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoyl]oxy-9,10,14,17,17-pentamethyl-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-2-yl] 3-(trifluoromethoxy)benzoate;[(1S,2S,3R,4S,7R,9S,10R,12R,15S)-4-acetyloxy-12-(cyclopropanecarbonyloxy)-1-hydroxy-15-[(2R,3S)-2-hydroxy-5-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]hex-4-enoyl]oxy-9,10,14,17,17-pentamethyl-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-2-yl] 3-(trifluoromethoxy)benzoate;[(1S,2S,3R,4S,7R,9S,10R,12R,15S)-4-acetyloxy-12-(cyclopropanecarbonyloxy)-1-hydroxy-9,10,14,17,17-pentamethyl-15-[(2R,3S)-5-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]-2-tri(propan-2-yl)silyloxyhex-4-enoyl]oxy-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-2-yl] 3-(trifluoromethoxy)benzoate;tert-butyl (2S,3R)-3-methyl-2-(2-methylprop-1-enyl)-4-oxoazetidine-1-carboxylate?
The InChIKey is MXHZRHLXXDWACW-CLNRXSDZSA-N. The full InChI is InChI=1S/C56H80F3NO15Si.C47H62F3NO15.C47H60F3NO15.C35H41F3O11.C13H21NO3/c1-28(2)23-38(60-50(66)74-51(12,13)14)42(75-76(29(3)4,30(5)6)31(7)8)49(65)69-39-26-55(67)46(71-48(64)36-19-18-20-37(25-36)73-56(57,58)59)44-53(17,32(9)24-40-54(44,27-68-40)72-34(11)61)45(62)43(70-47(63)35-21-22-35)41(33(39)10)52(55,15)16;2*1-22(2)17-29(51-41(58)66-42(6,7)8)33(53)40(57)61-30-20-46(59)37(63-39(56)27-13-12-14-28(19-27)65-47(48,49)50)35-44(11,23(3)18-31-45(35,21-60-31)64-25(5)52)36(54)34(62-38(55)26-15-16-26)32(24(30)4)43(46,9)10;1-16-12-23-33(15-45-23,48-18(3)39)26-28(47-30(43)20-8-7-9-21(13-20)49-35(36,37)38)34(44)14-22(40)17(2)24(31(34,4)5)25(27(41)32(16,26)6)46-29(42)19-10-11-19;1-8(2)7-10-9(3)11(15)14(10)12(16)17-13(4,5)6/h18-20,23,25,29-32,35,38-40,42-44,46,67H,21-22,24,26-27H2,1-17H3,(H,60,66);12-14,19,22-23,26,29-31,33-35,37,53,59H,15-18,20-21H2,1-11H3,(H,51,58);12-14,17,19,23,26,29-31,33-35,37,53,59H,15-16,18,20-21H2,1-11H3,(H,51,58);7-9,13,16,19,22-23,25-26,28,40,44H,10-12,14-15H2,1-6H3;7,9-10H,1-6H3/t32-,38-,39-,40+,42+,43+,44-,46-,53+,54-,55+;2*23-,29-,30-,31+,33+,34+,35-,37-,44+,45-,46+;16-,22-,23+,25+,26-,28-,32+,33-,34+;9-,10+/m00001/s1.
What are the key properties of [(1S,2S,3R,4S,7R,9S,10R,12R,15S)-4-acetyloxy-12-(cyclopropanecarbonyloxy)-1,15-dihydroxy-9,10,14,17,17-pentamethyl-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-2-yl] 3-(trifluoromethoxy)benzoate;[(1S,2S,3R,4S,7R,9S,10R,12R,15S)-4-acetyloxy-12-(cyclopropanecarbonyloxy)-1-hydroxy-15-[(2R,3S)-2-hydroxy-5-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoyl]oxy-9,10,14,17,17-pentamethyl-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-2-yl] 3-(trifluoromethoxy)benzoate;[(1S,2S,3R,4S,7R,9S,10R,12R,15S)-4-acetyloxy-12-(cyclopropanecarbonyloxy)-1-hydroxy-15-[(2R,3S)-2-hydroxy-5-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]hex-4-enoyl]oxy-9,10,14,17,17-pentamethyl-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-2-yl] 3-(trifluoromethoxy)benzoate;[(1S,2S,3R,4S,7R,9S,10R,12R,15S)-4-acetyloxy-12-(cyclopropanecarbonyloxy)-1-hydroxy-9,10,14,17,17-pentamethyl-15-[(2R,3S)-5-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]-2-tri(propan-2-yl)silyloxyhex-4-enoyl]oxy-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-2-yl] 3-(trifluoromethoxy)benzoate;tert-butyl (2S,3R)-3-methyl-2-(2-methylprop-1-enyl)-4-oxoazetidine-1-carboxylate?
[(1S,2S,3R,4S,7R,9S,10R,12R,15S)-4-acetyloxy-12-(cyclopropanecarbonyloxy)-1,15-dihydroxy-9,10,14,17,17-pentamethyl-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-2-yl] 3-(trifluoromethoxy)benzoate;[(1S,2S,3R,4S,7R,9S,10R,12R,15S)-4-acetyloxy-12-(cyclopropanecarbonyloxy)-1-hydroxy-15-[(2R,3S)-2-hydroxy-5-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoyl]oxy-9,10,14,17,17-pentamethyl-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-2-yl] 3-(trifluoromethoxy)benzoate;[(1S,2S,3R,4S,7R,9S,10R,12R,15S)-4-acetyloxy-12-(cyclopropanecarbonyloxy)-1-hydroxy-15-[(2R,3S)-2-hydroxy-5-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]hex-4-enoyl]oxy-9,10,14,17,17-pentamethyl-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-2-yl] 3-(trifluoromethoxy)benzoate;[(1S,2S,3R,4S,7R,9S,10R,12R,15S)-4-acetyloxy-12-(cyclopropanecarbonyloxy)-1-hydroxy-9,10,14,17,17-pentamethyl-15-[(2R,3S)-5-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]-2-tri(propan-2-yl)silyloxyhex-4-enoyl]oxy-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-2-yl] 3-(trifluoromethoxy)benzoate;tert-butyl (2S,3R)-3-methyl-2-(2-methylprop-1-enyl)-4-oxoazetidine-1-carboxylate has a molecular weight of 3900.32 g/mol, XLogP of 29.19, 46 rotatable bonds, 10 hydrogen bond donors, and 59 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,2S,3R,4S,7R,9S,10R,12R,15S)-4-acetyloxy-12-(cyclopropanecarbonyloxy)-1,15-dihydroxy-9,10,14,17,17-pentamethyl-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-2-yl] 3-(trifluoromethoxy)benzoate;[(1S,2S,3R,4S,7R,9S,10R,12R,15S)-4-acetyloxy-12-(cyclopropanecarbonyloxy)-1-hydroxy-15-[(2R,3S)-2-hydroxy-5-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoyl]oxy-9,10,14,17,17-pentamethyl-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-2-yl] 3-(trifluoromethoxy)benzoate;[(1S,2S,3R,4S,7R,9S,10R,12R,15S)-4-acetyloxy-12-(cyclopropanecarbonyloxy)-1-hydroxy-15-[(2R,3S)-2-hydroxy-5-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]hex-4-enoyl]oxy-9,10,14,17,17-pentamethyl-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-2-yl] 3-(trifluoromethoxy)benzoate;[(1S,2S,3R,4S,7R,9S,10R,12R,15S)-4-acetyloxy-12-(cyclopropanecarbonyloxy)-1-hydroxy-9,10,14,17,17-pentamethyl-15-[(2R,3S)-5-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]-2-tri(propan-2-yl)silyloxyhex-4-enoyl]oxy-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-2-yl] 3-(trifluoromethoxy)benzoate;tert-butyl (2S,3R)-3-methyl-2-(2-methylprop-1-enyl)-4-oxoazetidine-1-carboxylate is sourced from PubChem (CID 159698500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).