[(2R,4S,6S,7R,10R,13S,14S,15S,16R,18S)-13-acetyloxy-4-ethenyl-16-hydroxy-7,15,19,20,20-pentamethyl-3,5,11-trioxapentacyclo[14.3.1.02,6.07,14.010,13]icos-1(19)-en-18-yl] (2R,3S)-3-(3-fluoro-2-pyridinyl)-2-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate;[(2R,4S,6S,7R,10R,13S,14S,15S,16R,18S)-13-acetyloxy-4-ethenyl-16-hydroxy-7,15,19,20,20-pentamethyl-3,5,11-trioxapentacyclo[14.3.1.02,6.07,14.010,13]icos-1(19)-en-18-yl] (2R,3S)-3-(3-fluoro-2-pyridinyl)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-2-tri(propan-2-yl)silyloxypropanoate;[(2R,4S,6S,7R,10R,13S,14S,15S,16R,18S)-13-acetyloxy-16-hydroxy-7,15,19,20,20-pentamethyl-4-(morpholin-4-ylmethyl)-3,5,11-trioxapentacyclo[14.3.1.02,6.07,14.010,13]icos-1(19)-en-18-yl] (2R,3S)-3-(3-fluoro-2-pyridinyl)-2-hydroxy-3-(methylamino)propanoate;tert-butyl (2S,3R)-2-(3-fluoro-2-pyridinyl)-4-oxo-3-tri(propan-2-yl)silyloxyazetidine-1-carboxylate;[(2R,4S,6S,7R,10R,13S,14S,15S,16R,18S)-4-ethenyl-16,18-dihydroxy-7,15,19,20,20-pentamethyl-3,5,11-trioxapentacyclo[14.3.1.02,6.07,14.010,13]icos-1(19)-en-13-yl] acetate

C173H253F4N9O43Si2 — CID 159460632

IUPAC[(2R,4S,6S,7R,10R,13S,14S,15S,16R,18S)-13-acetyloxy-4-ethenyl-16-hydroxy-7,15,19,20,20-pentamethyl-3,5,11-trioxapentacyclo[14.3.1.02,6.07,14.010,13]icos-1(19)-en-18-yl] (2R,3S)-3-(3-fluoro-2-pyridinyl)-2-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate;[(2R,4S,6S,7R,10R,13S,14S,15S,16R,18S)-13-acetyloxy-4-ethenyl-16-hydroxy-7,15,19,20,20-pentamethyl-3,5,11-trioxapentacyclo[14.3.1.02,6.07,14.010,13]icos-1(19)-en-18-yl] (2R,3S)-3-(3-fluoro-2-pyridinyl)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-2-tri(propan-2-yl)silyloxypropanoate;[(2R,4S,6S,7R,10R,13S,14S,15S,16R,18S)-13-acetyloxy-16-hydroxy-7,15,19,20,20-pentamethyl-4-(morpholin-4-ylmethyl)-3,5,11-trioxapentacyclo[14.3.1.02,6.07,14.010,13]icos-1(19)-en-18-yl] (2R,3S)-3-(3-fluoro-2-pyridinyl)-2-hydroxy-3-(methylamino)propanoate;tert-butyl (2S,3R)-2-(3-fluoro-2-pyridinyl)-4-oxo-3-tri(propan-2-yl)silyloxyazetidine-1-carboxylate;[(2R,4S,6S,7R,10R,13S,14S,15S,16R,18S)-4-ethenyl-16,18-dihydroxy-7,15,19,20,20-pentamethyl-3,5,11-trioxapentacyclo[14.3.1.02,6.07,14.010,13]icos-1(19)-en-13-yl] acetate
SMILESC=C[C@@H]1O[C@@H]2C3=C(C)[C@@H](O)C[C@@](O)([C@@H](C)[C@H]4[C@@](C)(CC[C@H]5OC[C@]54OC(C)=O)[C@@H]2O1)C3(C)C.C=C[C@@H]1O[C@@H]2C3=C(C)[C@@H](OC(=O)[C@H](O)[C@@H](NC(=O)OC(C)(C)C)c4ncccc4F)C[C@@](O)([C@@H](C)[C@H]4[C@@](C)(CC[C@H]5OC[C@]54OC(C)=O)[C@@H]2O1)C3(C)C.C=C[C@@H]1O[C@@H]2C3=C(C)[C@@H](OC(=O)[C@H](O[Si](C(C)C)(C(C)C)C(C)C)[C@@H](NC(=O)OC(C)(C)C)c4ncccc4F)C[C@@](O)([C@@H](C)[C@H]4[C@@](C)(CC[C@H]5OC[C@]54OC(C)=O)[C@@H]2O1)C3(C)C.CC(C)[Si](O[C@H]1C(=O)N(C(=O)OC(C)(C)C)[C@H]1c1ncccc1F)(C(C)C)C(C)C.CN[C@@H](c1ncccc1F)[C@@H](O)C(=O)O[C@H]1C[C@@]2(O)[C@@H](C)[C@H]3[C@@](C)(CC[C@H]4OC[C@]43OC(C)=O)[C@@H]3O[C@H](CN4CCOCC4)O[C@@H]3C(=C1C)C2(C)C
InChIInChI=1S/C48H73FN2O11Si.C39H53FN2O11.C38H54FN3O10.C26H38O7.C22H35FN2O4Si/c1-17-34-58-38-35-28(8)32(23-48(55,45(35,14)15)29(9)40-46(16,41(38)59-34)21-20-33-47(40,24-56-33)60-30(10)52)57-42(53)39(62-63(25(2)3,26(4)5)27(6)7)37(36-31(49)19-18-22-50-36)51-43(54)61-44(11,12)13;1-11-25-50-30-26-19(2)23(49-33(45)29(44)28(27-22(40)13-12-16-41-27)42-34(46)53-35(5,6)7)17-39(47,36(26,8)9)20(3)31-37(10,32(30)51-25)15-14-24-38(31,18-48-24)52-21(4)43;1-20-24(49-34(45)30(44)29(40-7)28-23(39)9-8-12-41-28)17-38(46)21(2)32-36(6,11-10-25-37(32,19-48-25)52-22(3)43)33-31(27(20)35(38,4)5)50-26(51-33)18-42-13-15-47-16-14-42;1-8-18-31-20-19-13(2)16(28)11-26(29,23(19,5)6)14(3)21-24(7,22(20)32-18)10-9-17-25(21,12-30-17)33-15(4)27;1-13(2)30(14(3)4,15(5)6)29-19-18(17-16(23)11-10-12-24-17)25(20(19)26)21(27)28-22(7,8)9/h17-19,22,25-27,29,32-34,37-41,55H,1,20-21,23-24H2,2-16H3,(H,51,54);11-13,16,20,23-25,28-32,44,47H,1,14-15,17-18H2,2-10H3,(H,42,46);8-9,12,21,24-26,29-33,40,44,46H,10-11,13-19H2,1-7H3;8,14,16-18,20-22,28-29H,1,9-12H2,2-7H3;10-15,18-19H,1-9H3/t29-,32-,33+,34+,37-,38+,39+,40-,41+,46+,47-,48+;20-,23-,24+,25+,28-,29+,30+,31-,32+,37+,38-,39+;21-,24-,25+,26+,29-,30+,31+,32-,33+,36+,37-,38+;14-,16-,17+,18+,20+,21-,22+,24+,25-,26+;18-,19+/m00000/s1
InChIKeyLUNYOKZZMSKMGZ-SXRKJKQVSA-N
MW3279.11 g/mol
LogP24.33
Rot. Bonds35

About [(2R,4S,6S,7R,10R,13S,14S,15S,16R,18S)-13-acetyloxy-4-ethenyl-16-hydroxy-7,15,19,20,20-pentamethyl-3,5,11-trioxapentacyclo[14.3.1.02,6.07,14.010,13]icos-1(19)-en-18-yl] (2R,3S)-3-(3-fluoro-2-pyridinyl)-2-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate;[(2R,4S,6S,7R,10R,13S,14S,15S,16R,18S)-13-acetyloxy-4-ethenyl-16-hydroxy-7,15,19,20,20-pentamethyl-3,5,11-trioxapentacyclo[14.3.1.02,6.07,14.010,13]icos-1(19)-en-18-yl] (2R,3S)-3-(3-fluoro-2-pyridinyl)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-2-tri(propan-2-yl)silyloxypropanoate;[(2R,4S,6S,7R,10R,13S,14S,15S,16R,18S)-13-acetyloxy-16-hydroxy-7,15,19,20,20-pentamethyl-4-(morpholin-4-ylmethyl)-3,5,11-trioxapentacyclo[14.3.1.02,6.07,14.010,13]icos-1(19)-en-18-yl] (2R,3S)-3-(3-fluoro-2-pyridinyl)-2-hydroxy-3-(methylamino)propanoate;tert-butyl (2S,3R)-2-(3-fluoro-2-pyridinyl)-4-oxo-3-tri(propan-2-yl)silyloxyazetidine-1-carboxylate;[(2R,4S,6S,7R,10R,13S,14S,15S,16R,18S)-4-ethenyl-16,18-dihydroxy-7,15,19,20,20-pentamethyl-3,5,11-trioxapentacyclo[14.3.1.02,6.07,14.010,13]icos-1(19)-en-13-yl] acetate

[(2R,4S,6S,7R,10R,13S,14S,15S,16R,18S)-13-acetyloxy-4-ethenyl-16-hydroxy-7,15,19,20,20-pentamethyl-3,5,11-trioxapentacyclo[14.3.1.02,6.07,14.010,13]icos-1(19)-en-18-yl] (2R,3S)-3-(3-fluoro-2-pyridinyl)-2-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate;[(2R,4S,6S,7R,10R,13S,14S,15S,16R,18S)-13-acetyloxy-4-ethenyl-16-hydroxy-7,15,19,20,20-pentamethyl-3,5,11-trioxapentacyclo[14.3.1.02,6.07,14.010,13]icos-1(19)-en-18-yl] (2R,3S)-3-(3-fluoro-2-pyridinyl)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-2-tri(propan-2-yl)silyloxypropanoate;[(2R,4S,6S,7R,10R,13S,14S,15S,16R,18S)-13-acetyloxy-16-hydroxy-7,15,19,20,20-pentamethyl-4-(morpholin-4-ylmethyl)-3,5,11-trioxapentacyclo[14.3.1.02,6.07,14.010,13]icos-1(19)-en-18-yl] (2R,3S)-3-(3-fluoro-2-pyridinyl)-2-hydroxy-3-(methylamino)propanoate;tert-butyl (2S,3R)-2-(3-fluoro-2-pyridinyl)-4-oxo-3-tri(propan-2-yl)silyloxyazetidine-1-carboxylate;[(2R,4S,6S,7R,10R,13S,14S,15S,16R,18S)-4-ethenyl-16,18-dihydroxy-7,15,19,20,20-pentamethyl-3,5,11-trioxapentacyclo[14.3.1.02,6.07,14.010,13]icos-1(19)-en-13-yl] acetate (PubChem CID 159460632) has the molecular formula C173H253F4N9O43Si2 and a molecular weight of 3279.11 g/mol. Its IUPAC name is [(2R,4S,6S,7R,10R,13S,14S,15S,16R,18S)-13-acetyloxy-4-ethenyl-16-hydroxy-7,15,19,20,20-pentamethyl-3,5,11-trioxapentacyclo[14.3.1.02,6.07,14.010,13]icos-1(19)-en-18-yl] (2R,3S)-3-(3-fluoro-2-pyridinyl)-2-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate;[(2R,4S,6S,7R,10R,13S,14S,15S,16R,18S)-13-acetyloxy-4-ethenyl-16-hydroxy-7,15,19,20,20-pentamethyl-3,5,11-trioxapentacyclo[14.3.1.02,6.07,14.010,13]icos-1(19)-en-18-yl] (2R,3S)-3-(3-fluoro-2-pyridinyl)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-2-tri(propan-2-yl)silyloxypropanoate;[(2R,4S,6S,7R,10R,13S,14S,15S,16R,18S)-13-acetyloxy-16-hydroxy-7,15,19,20,20-pentamethyl-4-(morpholin-4-ylmethyl)-3,5,11-trioxapentacyclo[14.3.1.02,6.07,14.010,13]icos-1(19)-en-18-yl] (2R,3S)-3-(3-fluoro-2-pyridinyl)-2-hydroxy-3-(methylamino)propanoate;tert-butyl (2S,3R)-2-(3-fluoro-2-pyridinyl)-4-oxo-3-tri(propan-2-yl)silyloxyazetidine-1-carboxylate;[(2R,4S,6S,7R,10R,13S,14S,15S,16R,18S)-4-ethenyl-16,18-dihydroxy-7,15,19,20,20-pentamethyl-3,5,11-trioxapentacyclo[14.3.1.02,6.07,14.010,13]icos-1(19)-en-13-yl] acetate.

Molecular Properties

Compound Name[(2R,4S,6S,7R,10R,13S,14S,15S,16R,18S)-13-acetyloxy-4-ethenyl-16-hydroxy-7,15,19,20,20-pentamethyl-3,5,11-trioxapentacyclo[14.3.1.02,6.07,14.010,13]icos-1(19)-en-18-yl] (2R,3S)-3-(3-fluoro-2-pyridinyl)-2-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate;[(2R,4S,6S,7R,10R,13S,14S,15S,16R,18S)-13-acetyloxy-4-ethenyl-16-hydroxy-7,15,19,20,20-pentamethyl-3,5,11-trioxapentacyclo[14.3.1.02,6.07,14.010,13]icos-1(19)-en-18-yl] (2R,3S)-3-(3-fluoro-2-pyridinyl)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-2-tri(propan-2-yl)silyloxypropanoate;[(2R,4S,6S,7R,10R,13S,14S,15S,16R,18S)-13-acetyloxy-16-hydroxy-7,15,19,20,20-pentamethyl-4-(morpholin-4-ylmethyl)-3,5,11-trioxapentacyclo[14.3.1.02,6.07,14.010,13]icos-1(19)-en-18-yl] (2R,3S)-3-(3-fluoro-2-pyridinyl)-2-hydroxy-3-(methylamino)propanoate;tert-butyl (2S,3R)-2-(3-fluoro-2-pyridinyl)-4-oxo-3-tri(propan-2-yl)silyloxyazetidine-1-carboxylate;[(2R,4S,6S,7R,10R,13S,14S,15S,16R,18S)-4-ethenyl-16,18-dihydroxy-7,15,19,20,20-pentamethyl-3,5,11-trioxapentacyclo[14.3.1.02,6.07,14.010,13]icos-1(19)-en-13-yl] acetate
PubChem CID159460632
Molecular FormulaC173H253F4N9O43Si2
Molecular Weight3279.11 g/mol
Exact Mass3276.74
IUPAC Name[(2R,4S,6S,7R,10R,13S,14S,15S,16R,18S)-13-acetyloxy-4-ethenyl-16-hydroxy-7,15,19,20,20-pentamethyl-3,5,11-trioxapentacyclo[14.3.1.02,6.07,14.010,13]icos-1(19)-en-18-yl] (2R,3S)-3-(3-fluoro-2-pyridinyl)-2-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate;[(2R,4S,6S,7R,10R,13S,14S,15S,16R,18S)-13-acetyloxy-4-ethenyl-16-hydroxy-7,15,19,20,20-pentamethyl-3,5,11-trioxapentacyclo[14.3.1.02,6.07,14.010,13]icos-1(19)-en-18-yl] (2R,3S)-3-(3-fluoro-2-pyridinyl)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-2-tri(propan-2-yl)silyloxypropanoate;[(2R,4S,6S,7R,10R,13S,14S,15S,16R,18S)-13-acetyloxy-16-hydroxy-7,15,19,20,20-pentamethyl-4-(morpholin-4-ylmethyl)-3,5,11-trioxapentacyclo[14.3.1.02,6.07,14.010,13]icos-1(19)-en-18-yl] (2R,3S)-3-(3-fluoro-2-pyridinyl)-2-hydroxy-3-(methylamino)propanoate;tert-butyl (2S,3R)-2-(3-fluoro-2-pyridinyl)-4-oxo-3-tri(propan-2-yl)silyloxyazetidine-1-carboxylate;[(2R,4S,6S,7R,10R,13S,14S,15S,16R,18S)-4-ethenyl-16,18-dihydroxy-7,15,19,20,20-pentamethyl-3,5,11-trioxapentacyclo[14.3.1.02,6.07,14.010,13]icos-1(19)-en-13-yl] acetate
SMILESC=C[C@@H]1O[C@@H]2C3=C(C)[C@@H](O)C[C@@](O)([C@@H](C)[C@H]4[C@@](C)(CC[C@H]5OC[C@]54OC(C)=O)[C@@H]2O1)C3(C)C.C=C[C@@H]1O[C@@H]2C3=C(C)[C@@H](OC(=O)[C@H](O)[C@@H](NC(=O)OC(C)(C)C)c4ncccc4F)C[C@@](O)([C@@H](C)[C@H]4[C@@](C)(CC[C@H]5OC[C@]54OC(C)=O)[C@@H]2O1)C3(C)C.C=C[C@@H]1O[C@@H]2C3=C(C)[C@@H](OC(=O)[C@H](O[Si](C(C)C)(C(C)C)C(C)C)[C@@H](NC(=O)OC(C)(C)C)c4ncccc4F)C[C@@](O)([C@@H](C)[C@H]4[C@@](C)(CC[C@H]5OC[C@]54OC(C)=O)[C@@H]2O1)C3(C)C.CC(C)[Si](O[C@H]1C(=O)N(C(=O)OC(C)(C)C)[C@H]1c1ncccc1F)(C(C)C)C(C)C.CN[C@@H](c1ncccc1F)[C@@H](O)C(=O)O[C@H]1C[C@@]2(O)[C@@H](C)[C@H]3[C@@](C)(CC[C@H]4OC[C@]43OC(C)=O)[C@@H]3O[C@H](CN4CCOCC4)O[C@@H]3C(=C1C)C2(C)C
InChIInChI=1S/C48H73FN2O11Si.C39H53FN2O11.C38H54FN3O10.C26H38O7.C22H35FN2O4Si/c1-17-34-58-38-35-28(8)32(23-48(55,45(35,14)15)29(9)40-46(16,41(38)59-34)21-20-33-47(40,24-56-33)60-30(10)52)57-42(53)39(62-63(25(2)3,26(4)5)27(6)7)37(36-31(49)19-18-22-50-36)51-43(54)61-44(11,12)13;1-11-25-50-30-26-19(2)23(49-33(45)29(44)28(27-22(40)13-12-16-41-27)42-34(46)53-35(5,6)7)17-39(47,36(26,8)9)20(3)31-37(10,32(30)51-25)15-14-24-38(31,18-48-24)52-21(4)43;1-20-24(49-34(45)30(44)29(40-7)28-23(39)9-8-12-41-28)17-38(46)21(2)32-36(6,11-10-25-37(32,19-48-25)52-22(3)43)33-31(27(20)35(38,4)5)50-26(51-33)18-42-13-15-47-16-14-42;1-8-18-31-20-19-13(2)16(28)11-26(29,23(19,5)6)14(3)21-24(7,22(20)32-18)10-9-17-25(21,12-30-17)33-15(4)27;1-13(2)30(14(3)4,15(5)6)29-19-18(17-16(23)11-10-12-24-17)25(20(19)26)21(27)28-22(7,8)9/h17-19,22,25-27,29,32-34,37-41,55H,1,20-21,23-24H2,2-16H3,(H,51,54);11-13,16,20,23-25,28-32,44,47H,1,14-15,17-18H2,2-10H3,(H,42,46);8-9,12,21,24-26,29-33,40,44,46H,10-11,13-19H2,1-7H3;8,14,16-18,20-22,28-29H,1,9-12H2,2-7H3;10-15,18-19H,1-9H3/t29-,32-,33+,34+,37-,38+,39+,40-,41+,46+,47-,48+;20-,23-,24+,25+,28-,29+,30+,31-,32+,37+,38-,39+;21-,24-,25+,26+,29-,30+,31+,32-,33+,36+,37-,38+;14-,16-,17+,18+,20+,21-,22+,24+,25-,26+;18-,19+/m00000/s1
InChIKeyLUNYOKZZMSKMGZ-SXRKJKQVSA-N
XLogP24.33
TPSA654.26 Ų
H-Bond Donors10
H-Bond Acceptors49
Rotatable Bonds35
Heavy Atoms231
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003279.11
LogP ≤ 524.33
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1049

Analyze [(2R,4S,6S,7R,10R,13S,14S,15S,16R,18S)-13-acetyloxy-4-ethenyl-16-hydroxy-7,15,19,20,20-pentamethyl-3,5,11-trioxapentacyclo[14.3.1.02,6.07,14.010,13]icos-1(19)-en-18-yl] (2R,3S)-3-(3-fluoro-2-pyridinyl)-2-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate;[(2R,4S,6S,7R,10R,13S,14S,15S,16R,18S)-13-acetyloxy-4-ethenyl-16-hydroxy-7,15,19,20,20-pentamethyl-3,5,11-trioxapentacyclo[14.3.1.02,6.07,14.010,13]icos-1(19)-en-18-yl] (2R,3S)-3-(3-fluoro-2-pyridinyl)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-2-tri(propan-2-yl)silyloxypropanoate;[(2R,4S,6S,7R,10R,13S,14S,15S,16R,18S)-13-acetyloxy-16-hydroxy-7,15,19,20,20-pentamethyl-4-(morpholin-4-ylmethyl)-3,5,11-trioxapentacyclo[14.3.1.02,6.07,14.010,13]icos-1(19)-en-18-yl] (2R,3S)-3-(3-fluoro-2-pyridinyl)-2-hydroxy-3-(methylamino)propanoate;tert-butyl (2S,3R)-2-(3-fluoro-2-pyridinyl)-4-oxo-3-tri(propan-2-yl)silyloxyazetidine-1-carboxylate;[(2R,4S,6S,7R,10R,13S,14S,15S,16R,18S)-4-ethenyl-16,18-dihydroxy-7,15,19,20,20-pentamethyl-3,5,11-trioxapentacyclo[14.3.1.02,6.07,14.010,13]icos-1(19)-en-13-yl] acetate with MolForge

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Related Compounds

[(2R,4S,6S,7R,10R,13S,14R,15S,16S,18S)-13-acetyloxy-4-(azetidin-1-ylmethyl)-16-hydroxy-18-[(2R,3R)-2-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(1,3-oxazol-5-yl)propanoyl]oxy-7,19,20,20-tetramethyl-3,5,11-trioxapentacyclo[14.3.1.02,6.07,14.010,13]icos-1(19)-en-15-yl] benzoate;[(2R,4S,6S,7R,10R,13S,14R,15S,16S,18S)-13-acetyloxy-4-(azetidin-1-ylmethyl)-16-hydroxy-7,19,20,20-tetramethyl-18-[(2R,3R)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(1,3-oxazol-5-yl)-2-tri(propan-2-yl)silyloxypropanoyl]oxy-3,5,11-trioxapentacyclo[14.3.1.02,6.07,14.010,13]icos-1(19)-en-15-yl] benzoate;[(2R,4S,6S,7R,10R,13S,14R,15S,16S,18S)-13-acetyloxy-4-ethenyl-16,18-dihydroxy-7,19,20,20-tetramethyl-3,5,11-trioxapentacyclo[14.3.1.02,6.07,14.010,13]icos-1(19)-en-15-yl] benzoate;[(2R,4S,6S,7R,10R,13S,14R,15S,16S,18S)-13-acetyloxy-4-ethenyl-16-hydroxy-7,19,20,20-tetramethyl-18-[(2R,3R)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(1,3-oxazol-5-yl)-2-tri(propan-2-yl)silyloxypropanoyl]oxy-3,5,11-trioxapentacyclo[14.3.1.02,6.07,14.010,13]icos-1(19)-en-15-yl] benzoate
CID 159190726
[(2R,4S,6S,7R,10R,13S,14R,15S,16S,18S)-13-acetyloxy-4-[[3-(dimethylamino)azetidin-1-yl]methyl]-18-[(2R,3S)-3-(3-fluoro-2-pyridinyl)-2-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]oxy-16-hydroxy-7,19,20,20-tetramethyl-3,5,11-trioxapentacyclo[14.3.1.02,6.07,14.010,13]icos-1(19)-en-15-yl] benzoate;[(2R,4S,6S,7R,10R,13S,14R,15S,16S,18S)-13-acetyloxy-4-ethenyl-18-[(2R,3S)-3-(3-fluoro-2-pyridinyl)-2-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]oxy-16-hydroxy-7,19,20,20-tetramethyl-3,5,11-trioxapentacyclo[14.3.1.02,6.07,14.010,13]icos-1(19)-en-15-yl] benzoate
CID 161319991
[(2R,4S,6S,7R,10R,13S,14R,15S,16S,18S)-13-acetyloxy-4-ethenyl-16-hydroxy-18-[(2R,3S)-2-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]-3-pyridin-2-ylpropanoyl]oxy-7,19,20,20-tetramethyl-3,5,11-trioxapentacyclo[14.3.1.02,6.07,14.010,13]icos-1(19)-en-15-yl] benzoate;[(2R,4S,6S,7R,10R,13S,14R,15S,16S,18S)-13-acetyloxy-16-hydroxy-18-[(2R,3S)-2-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]-3-pyridin-2-ylpropanoyl]oxy-4-[(3-methoxyazetidin-1-yl)methyl]-7,19,20,20-tetramethyl-3,5,11-trioxapentacyclo[14.3.1.02,6.07,14.010,13]icos-1(19)-en-15-yl] benzoate
CID 159264079
[(2R,4S,6S,7R,10R,13S,14R,15S,16S,18S)-13-acetyloxy-4-ethenyl-16-hydroxy-18-[(2R,3S)-2-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoyl]oxy-7,19,20,20-tetramethyl-3,5,11-trioxapentacyclo[14.3.1.02,6.07,14.010,13]icos-1(19)-en-15-yl] benzoate;[(2R,4S,6S,7R,10R,13S,14R,15S,16S,18S)-13-acetyloxy-16-hydroxy-4-[(3-hydroxy-3-methylazetidin-1-yl)methyl]-18-[(2R,3S)-2-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoyl]oxy-7,19,20,20-tetramethyl-3,5,11-trioxapentacyclo[14.3.1.02,6.07,14.010,13]icos-1(19)-en-15-yl] benzoate
CID 159844451
[(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
[(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-15-[(2R,3R)-3-(furan-2-yl)-2-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]oxy-1,9-dihydroxy-10,14,17,17-tetramethyl-12-[4-(methyldisulfanyl)butanoyloxy]-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-2-yl] thiophene-2-carboxylate;[(1S,2S,3R,4S,7R,9S,10R,12R,15S)-4-acetyloxy-15-[(2R,3R)-3-(furan-2-yl)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-2-tri(propan-2-yl)silyloxypropanoyl]oxy-1,12-dihydroxy-9,10,14,17,17-pentamethyl-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-2-yl] thiophene-2-carboxylate;[(1S,2S,3R,4S,7R,9S,10R,12R,15S)-4-acetyloxy-15-[(2R,3R)-3-(furan-2-yl)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-2-tri(propan-2-yl)silyloxypropanoyl]oxy-1-hydroxy-9,10,14,17,17-pentamethyl-12-[4-(methyldisulfanyl)butanoyloxy]-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-2-yl] thiophene-2-carboxylate;[(1S,2S,3R,4S,7R,9S,10R,12R,15S)-4-acetyloxy-1-hydroxy-9,10,12,14,15,17,17-heptamethyl-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-2-yl] thiophene-2-carboxylate;[(1S,2S,3R,4R,7R,9S,10R,12R,15S)-4-acetyloxy-1-hydroxy-9,10,12,14,15,17,17-heptamethyl-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-2-yl] thiophene-2-carboxylate;[(1S,2S,3R,4S,7R,9S,10S,12R,15S)-4-acetyloxy-1,9,12,15-tetrahydroxy-10,14,17,17-tetramethyl-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-2-yl] thiophene-2-carboxylate;[(1S,2S,3R,4S,7R,9S,10R,12R,15S)-4,12-diacetyloxy-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] thiophene-2-carboxylate;[(1S,2S,3R,4S,7R,9S,10R,12R,15S)-4,12-diacetyloxy-15-[(2R,3R)-3-(furan-2-yl)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-2-tri(propan-2-yl)silyloxypropanoyl]oxy-1-hydroxy-9,10,14,17,17-pentamethyl-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-2-yl] thiophene-2-carboxylate;[(1S,2S,3R,4R,7R,9S,10S,12R,15S)-1,2,9,12,15-pentahydroxy-10,14,17,17-tetramethyl-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-4-yl] acetate
CID 157342119
[(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
5-O-[(2R,6S,7S,8S,10R,13S,14R,15S,16S,18S)-13-acetyloxy-15-benzoyloxy-8,16-dihydroxy-7,19,20,20-tetramethyl-4-(morpholin-4-ylmethyl)-3,5,11-trioxapentacyclo[14.3.1.02,6.07,14.010,13]icos-1(19)-en-18-yl] 3-O-tert-butyl (2R,4S,5R)-2-(4-methoxyphenyl)-4-phenyl-1,3-oxazolidine-3,5-dicarboxylate;5-O-[(2R,6S,7S,8S,10R,13S,14R,15S,16S,18S)-13-acetyloxy-15-benzoyloxy-4-ethenyl-8,16-dihydroxy-7,19,20,20-tetramethyl-3,5,11-trioxapentacyclo[14.3.1.02,6.07,14.010,13]icos-1(19)-en-18-yl] 3-O-tert-butyl (2R,4S,5R)-2-(4-methoxyphenyl)-4-phenyl-1,3-oxazolidine-3,5-dicarboxylate;5-O-[(2R,6S,7S,8S,10R,13S,14R,15S,16S,18S)-13-acetyloxy-15-benzoyloxy-4-ethenyl-16-hydroxy-7,19,20,20-tetramethyl-8-(2,2,2-trichloroethoxycarbonyloxy)-3,5,11-trioxapentacyclo[14.3.1.02,6.07,14.010,13]icos-1(19)-en-18-yl] 3-O-tert-butyl (2R,4S,5R)-2-(4-methoxyphenyl)-4-phenyl-1,3-oxazolidine-3,5-dicarboxylate
CID 158136510
[(1S,2S,3R,4S,7R,9S,10S,12R,15S)-4-acetyloxy-1-hydroxy-15-[(2R,3S)-2-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropanoyl]oxy-9-methoxy-10,14,17,17-tetramethyl-12-(3-morpholin-4-ylpropyl)-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-2-yl] benzoate
CID 143204517
[4-acetyloxy-1,9,12-trihydroxy-15-[2-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropanoyl]oxy-10,14,17,17-tetramethyl-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-2-yl] 2-methylbut-2-enoate
CID 76522034
[(1S,2S,4S,7R,9S,10S,15S)-4-acetyloxy-1,9-dihydroxy-15-[(2R,3S)-2-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropanoyl]oxy-10,12,14,17,17-pentamethyl-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-2-yl] benzoate
CID 59060240

Frequently Asked Questions

What is the IUPAC name of [(2R,4S,6S,7R,10R,13S,14S,15S,16R,18S)-13-acetyloxy-4-ethenyl-16-hydroxy-7,15,19,20,20-pentamethyl-3,5,11-trioxapentacyclo[14.3.1.02,6.07,14.010,13]icos-1(19)-en-18-yl] (2R,3S)-3-(3-fluoro-2-pyridinyl)-2-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate;[(2R,4S,6S,7R,10R,13S,14S,15S,16R,18S)-13-acetyloxy-4-ethenyl-16-hydroxy-7,15,19,20,20-pentamethyl-3,5,11-trioxapentacyclo[14.3.1.02,6.07,14.010,13]icos-1(19)-en-18-yl] (2R,3S)-3-(3-fluoro-2-pyridinyl)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-2-tri(propan-2-yl)silyloxypropanoate;[(2R,4S,6S,7R,10R,13S,14S,15S,16R,18S)-13-acetyloxy-16-hydroxy-7,15,19,20,20-pentamethyl-4-(morpholin-4-ylmethyl)-3,5,11-trioxapentacyclo[14.3.1.02,6.07,14.010,13]icos-1(19)-en-18-yl] (2R,3S)-3-(3-fluoro-2-pyridinyl)-2-hydroxy-3-(methylamino)propanoate;tert-butyl (2S,3R)-2-(3-fluoro-2-pyridinyl)-4-oxo-3-tri(propan-2-yl)silyloxyazetidine-1-carboxylate;[(2R,4S,6S,7R,10R,13S,14S,15S,16R,18S)-4-ethenyl-16,18-dihydroxy-7,15,19,20,20-pentamethyl-3,5,11-trioxapentacyclo[14.3.1.02,6.07,14.010,13]icos-1(19)-en-13-yl] acetate?
The IUPAC name of [(2R,4S,6S,7R,10R,13S,14S,15S,16R,18S)-13-acetyloxy-4-ethenyl-16-hydroxy-7,15,19,20,20-pentamethyl-3,5,11-trioxapentacyclo[14.3.1.02,6.07,14.010,13]icos-1(19)-en-18-yl] (2R,3S)-3-(3-fluoro-2-pyridinyl)-2-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate;[(2R,4S,6S,7R,10R,13S,14S,15S,16R,18S)-13-acetyloxy-4-ethenyl-16-hydroxy-7,15,19,20,20-pentamethyl-3,5,11-trioxapentacyclo[14.3.1.02,6.07,14.010,13]icos-1(19)-en-18-yl] (2R,3S)-3-(3-fluoro-2-pyridinyl)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-2-tri(propan-2-yl)silyloxypropanoate;[(2R,4S,6S,7R,10R,13S,14S,15S,16R,18S)-13-acetyloxy-16-hydroxy-7,15,19,20,20-pentamethyl-4-(morpholin-4-ylmethyl)-3,5,11-trioxapentacyclo[14.3.1.02,6.07,14.010,13]icos-1(19)-en-18-yl] (2R,3S)-3-(3-fluoro-2-pyridinyl)-2-hydroxy-3-(methylamino)propanoate;tert-butyl (2S,3R)-2-(3-fluoro-2-pyridinyl)-4-oxo-3-tri(propan-2-yl)silyloxyazetidine-1-carboxylate;[(2R,4S,6S,7R,10R,13S,14S,15S,16R,18S)-4-ethenyl-16,18-dihydroxy-7,15,19,20,20-pentamethyl-3,5,11-trioxapentacyclo[14.3.1.02,6.07,14.010,13]icos-1(19)-en-13-yl] acetate (CID 159460632) is [(2R,4S,6S,7R,10R,13S,14S,15S,16R,18S)-13-acetyloxy-4-ethenyl-16-hydroxy-7,15,19,20,20-pentamethyl-3,5,11-trioxapentacyclo[14.3.1.02,6.07,14.010,13]icos-1(19)-en-18-yl] (2R,3S)-3-(3-fluoro-2-pyridinyl)-2-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate;[(2R,4S,6S,7R,10R,13S,14S,15S,16R,18S)-13-acetyloxy-4-ethenyl-16-hydroxy-7,15,19,20,20-pentamethyl-3,5,11-trioxapentacyclo[14.3.1.02,6.07,14.010,13]icos-1(19)-en-18-yl] (2R,3S)-3-(3-fluoro-2-pyridinyl)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-2-tri(propan-2-yl)silyloxypropanoate;[(2R,4S,6S,7R,10R,13S,14S,15S,16R,18S)-13-acetyloxy-16-hydroxy-7,15,19,20,20-pentamethyl-4-(morpholin-4-ylmethyl)-3,5,11-trioxapentacyclo[14.3.1.02,6.07,14.010,13]icos-1(19)-en-18-yl] (2R,3S)-3-(3-fluoro-2-pyridinyl)-2-hydroxy-3-(methylamino)propanoate;tert-butyl (2S,3R)-2-(3-fluoro-2-pyridinyl)-4-oxo-3-tri(propan-2-yl)silyloxyazetidine-1-carboxylate;[(2R,4S,6S,7R,10R,13S,14S,15S,16R,18S)-4-ethenyl-16,18-dihydroxy-7,15,19,20,20-pentamethyl-3,5,11-trioxapentacyclo[14.3.1.02,6.07,14.010,13]icos-1(19)-en-13-yl] acetate.
What is the SMILES notation for [(2R,4S,6S,7R,10R,13S,14S,15S,16R,18S)-13-acetyloxy-4-ethenyl-16-hydroxy-7,15,19,20,20-pentamethyl-3,5,11-trioxapentacyclo[14.3.1.02,6.07,14.010,13]icos-1(19)-en-18-yl] (2R,3S)-3-(3-fluoro-2-pyridinyl)-2-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate;[(2R,4S,6S,7R,10R,13S,14S,15S,16R,18S)-13-acetyloxy-4-ethenyl-16-hydroxy-7,15,19,20,20-pentamethyl-3,5,11-trioxapentacyclo[14.3.1.02,6.07,14.010,13]icos-1(19)-en-18-yl] (2R,3S)-3-(3-fluoro-2-pyridinyl)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-2-tri(propan-2-yl)silyloxypropanoate;[(2R,4S,6S,7R,10R,13S,14S,15S,16R,18S)-13-acetyloxy-16-hydroxy-7,15,19,20,20-pentamethyl-4-(morpholin-4-ylmethyl)-3,5,11-trioxapentacyclo[14.3.1.02,6.07,14.010,13]icos-1(19)-en-18-yl] (2R,3S)-3-(3-fluoro-2-pyridinyl)-2-hydroxy-3-(methylamino)propanoate;tert-butyl (2S,3R)-2-(3-fluoro-2-pyridinyl)-4-oxo-3-tri(propan-2-yl)silyloxyazetidine-1-carboxylate;[(2R,4S,6S,7R,10R,13S,14S,15S,16R,18S)-4-ethenyl-16,18-dihydroxy-7,15,19,20,20-pentamethyl-3,5,11-trioxapentacyclo[14.3.1.02,6.07,14.010,13]icos-1(19)-en-13-yl] acetate?
The canonical SMILES for [(2R,4S,6S,7R,10R,13S,14S,15S,16R,18S)-13-acetyloxy-4-ethenyl-16-hydroxy-7,15,19,20,20-pentamethyl-3,5,11-trioxapentacyclo[14.3.1.02,6.07,14.010,13]icos-1(19)-en-18-yl] (2R,3S)-3-(3-fluoro-2-pyridinyl)-2-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate;[(2R,4S,6S,7R,10R,13S,14S,15S,16R,18S)-13-acetyloxy-4-ethenyl-16-hydroxy-7,15,19,20,20-pentamethyl-3,5,11-trioxapentacyclo[14.3.1.02,6.07,14.010,13]icos-1(19)-en-18-yl] (2R,3S)-3-(3-fluoro-2-pyridinyl)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-2-tri(propan-2-yl)silyloxypropanoate;[(2R,4S,6S,7R,10R,13S,14S,15S,16R,18S)-13-acetyloxy-16-hydroxy-7,15,19,20,20-pentamethyl-4-(morpholin-4-ylmethyl)-3,5,11-trioxapentacyclo[14.3.1.02,6.07,14.010,13]icos-1(19)-en-18-yl] (2R,3S)-3-(3-fluoro-2-pyridinyl)-2-hydroxy-3-(methylamino)propanoate;tert-butyl (2S,3R)-2-(3-fluoro-2-pyridinyl)-4-oxo-3-tri(propan-2-yl)silyloxyazetidine-1-carboxylate;[(2R,4S,6S,7R,10R,13S,14S,15S,16R,18S)-4-ethenyl-16,18-dihydroxy-7,15,19,20,20-pentamethyl-3,5,11-trioxapentacyclo[14.3.1.02,6.07,14.010,13]icos-1(19)-en-13-yl] acetate is C=C[C@@H]1O[C@@H]2C3=C(C)[C@@H](O)C[C@@](O)([C@@H](C)[C@H]4[C@@](C)(CC[C@H]5OC[C@]54OC(C)=O)[C@@H]2O1)C3(C)C.C=C[C@@H]1O[C@@H]2C3=C(C)[C@@H](OC(=O)[C@H](O)[C@@H](NC(=O)OC(C)(C)C)c4ncccc4F)C[C@@](O)([C@@H](C)[C@H]4[C@@](C)(CC[C@H]5OC[C@]54OC(C)=O)[C@@H]2O1)C3(C)C.C=C[C@@H]1O[C@@H]2C3=C(C)[C@@H](OC(=O)[C@H](O[Si](C(C)C)(C(C)C)C(C)C)[C@@H](NC(=O)OC(C)(C)C)c4ncccc4F)C[C@@](O)([C@@H](C)[C@H]4[C@@](C)(CC[C@H]5OC[C@]54OC(C)=O)[C@@H]2O1)C3(C)C.CC(C)[Si](O[C@H]1C(=O)N(C(=O)OC(C)(C)C)[C@H]1c1ncccc1F)(C(C)C)C(C)C.CN[C@@H](c1ncccc1F)[C@@H](O)C(=O)O[C@H]1C[C@@]2(O)[C@@H](C)[C@H]3[C@@](C)(CC[C@H]4OC[C@]43OC(C)=O)[C@@H]3O[C@H](CN4CCOCC4)O[C@@H]3C(=C1C)C2(C)C.
What is the InChIKey of [(2R,4S,6S,7R,10R,13S,14S,15S,16R,18S)-13-acetyloxy-4-ethenyl-16-hydroxy-7,15,19,20,20-pentamethyl-3,5,11-trioxapentacyclo[14.3.1.02,6.07,14.010,13]icos-1(19)-en-18-yl] (2R,3S)-3-(3-fluoro-2-pyridinyl)-2-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate;[(2R,4S,6S,7R,10R,13S,14S,15S,16R,18S)-13-acetyloxy-4-ethenyl-16-hydroxy-7,15,19,20,20-pentamethyl-3,5,11-trioxapentacyclo[14.3.1.02,6.07,14.010,13]icos-1(19)-en-18-yl] (2R,3S)-3-(3-fluoro-2-pyridinyl)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-2-tri(propan-2-yl)silyloxypropanoate;[(2R,4S,6S,7R,10R,13S,14S,15S,16R,18S)-13-acetyloxy-16-hydroxy-7,15,19,20,20-pentamethyl-4-(morpholin-4-ylmethyl)-3,5,11-trioxapentacyclo[14.3.1.02,6.07,14.010,13]icos-1(19)-en-18-yl] (2R,3S)-3-(3-fluoro-2-pyridinyl)-2-hydroxy-3-(methylamino)propanoate;tert-butyl (2S,3R)-2-(3-fluoro-2-pyridinyl)-4-oxo-3-tri(propan-2-yl)silyloxyazetidine-1-carboxylate;[(2R,4S,6S,7R,10R,13S,14S,15S,16R,18S)-4-ethenyl-16,18-dihydroxy-7,15,19,20,20-pentamethyl-3,5,11-trioxapentacyclo[14.3.1.02,6.07,14.010,13]icos-1(19)-en-13-yl] acetate?
The InChIKey is LUNYOKZZMSKMGZ-SXRKJKQVSA-N. The full InChI is InChI=1S/C48H73FN2O11Si.C39H53FN2O11.C38H54FN3O10.C26H38O7.C22H35FN2O4Si/c1-17-34-58-38-35-28(8)32(23-48(55,45(35,14)15)29(9)40-46(16,41(38)59-34)21-20-33-47(40,24-56-33)60-30(10)52)57-42(53)39(62-63(25(2)3,26(4)5)27(6)7)37(36-31(49)19-18-22-50-36)51-43(54)61-44(11,12)13;1-11-25-50-30-26-19(2)23(49-33(45)29(44)28(27-22(40)13-12-16-41-27)42-34(46)53-35(5,6)7)17-39(47,36(26,8)9)20(3)31-37(10,32(30)51-25)15-14-24-38(31,18-48-24)52-21(4)43;1-20-24(49-34(45)30(44)29(40-7)28-23(39)9-8-12-41-28)17-38(46)21(2)32-36(6,11-10-25-37(32,19-48-25)52-22(3)43)33-31(27(20)35(38,4)5)50-26(51-33)18-42-13-15-47-16-14-42;1-8-18-31-20-19-13(2)16(28)11-26(29,23(19,5)6)14(3)21-24(7,22(20)32-18)10-9-17-25(21,12-30-17)33-15(4)27;1-13(2)30(14(3)4,15(5)6)29-19-18(17-16(23)11-10-12-24-17)25(20(19)26)21(27)28-22(7,8)9/h17-19,22,25-27,29,32-34,37-41,55H,1,20-21,23-24H2,2-16H3,(H,51,54);11-13,16,20,23-25,28-32,44,47H,1,14-15,17-18H2,2-10H3,(H,42,46);8-9,12,21,24-26,29-33,40,44,46H,10-11,13-19H2,1-7H3;8,14,16-18,20-22,28-29H,1,9-12H2,2-7H3;10-15,18-19H,1-9H3/t29-,32-,33+,34+,37-,38+,39+,40-,41+,46+,47-,48+;20-,23-,24+,25+,28-,29+,30+,31-,32+,37+,38-,39+;21-,24-,25+,26+,29-,30+,31+,32-,33+,36+,37-,38+;14-,16-,17+,18+,20+,21-,22+,24+,25-,26+;18-,19+/m00000/s1.
What are the key properties of [(2R,4S,6S,7R,10R,13S,14S,15S,16R,18S)-13-acetyloxy-4-ethenyl-16-hydroxy-7,15,19,20,20-pentamethyl-3,5,11-trioxapentacyclo[14.3.1.02,6.07,14.010,13]icos-1(19)-en-18-yl] (2R,3S)-3-(3-fluoro-2-pyridinyl)-2-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate;[(2R,4S,6S,7R,10R,13S,14S,15S,16R,18S)-13-acetyloxy-4-ethenyl-16-hydroxy-7,15,19,20,20-pentamethyl-3,5,11-trioxapentacyclo[14.3.1.02,6.07,14.010,13]icos-1(19)-en-18-yl] (2R,3S)-3-(3-fluoro-2-pyridinyl)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-2-tri(propan-2-yl)silyloxypropanoate;[(2R,4S,6S,7R,10R,13S,14S,15S,16R,18S)-13-acetyloxy-16-hydroxy-7,15,19,20,20-pentamethyl-4-(morpholin-4-ylmethyl)-3,5,11-trioxapentacyclo[14.3.1.02,6.07,14.010,13]icos-1(19)-en-18-yl] (2R,3S)-3-(3-fluoro-2-pyridinyl)-2-hydroxy-3-(methylamino)propanoate;tert-butyl (2S,3R)-2-(3-fluoro-2-pyridinyl)-4-oxo-3-tri(propan-2-yl)silyloxyazetidine-1-carboxylate;[(2R,4S,6S,7R,10R,13S,14S,15S,16R,18S)-4-ethenyl-16,18-dihydroxy-7,15,19,20,20-pentamethyl-3,5,11-trioxapentacyclo[14.3.1.02,6.07,14.010,13]icos-1(19)-en-13-yl] acetate?
[(2R,4S,6S,7R,10R,13S,14S,15S,16R,18S)-13-acetyloxy-4-ethenyl-16-hydroxy-7,15,19,20,20-pentamethyl-3,5,11-trioxapentacyclo[14.3.1.02,6.07,14.010,13]icos-1(19)-en-18-yl] (2R,3S)-3-(3-fluoro-2-pyridinyl)-2-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate;[(2R,4S,6S,7R,10R,13S,14S,15S,16R,18S)-13-acetyloxy-4-ethenyl-16-hydroxy-7,15,19,20,20-pentamethyl-3,5,11-trioxapentacyclo[14.3.1.02,6.07,14.010,13]icos-1(19)-en-18-yl] (2R,3S)-3-(3-fluoro-2-pyridinyl)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-2-tri(propan-2-yl)silyloxypropanoate;[(2R,4S,6S,7R,10R,13S,14S,15S,16R,18S)-13-acetyloxy-16-hydroxy-7,15,19,20,20-pentamethyl-4-(morpholin-4-ylmethyl)-3,5,11-trioxapentacyclo[14.3.1.02,6.07,14.010,13]icos-1(19)-en-18-yl] (2R,3S)-3-(3-fluoro-2-pyridinyl)-2-hydroxy-3-(methylamino)propanoate;tert-butyl (2S,3R)-2-(3-fluoro-2-pyridinyl)-4-oxo-3-tri(propan-2-yl)silyloxyazetidine-1-carboxylate;[(2R,4S,6S,7R,10R,13S,14S,15S,16R,18S)-4-ethenyl-16,18-dihydroxy-7,15,19,20,20-pentamethyl-3,5,11-trioxapentacyclo[14.3.1.02,6.07,14.010,13]icos-1(19)-en-13-yl] acetate has a molecular weight of 3279.11 g/mol, XLogP of 24.33, 35 rotatable bonds, 10 hydrogen bond donors, and 49 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,4S,6S,7R,10R,13S,14S,15S,16R,18S)-13-acetyloxy-4-ethenyl-16-hydroxy-7,15,19,20,20-pentamethyl-3,5,11-trioxapentacyclo[14.3.1.02,6.07,14.010,13]icos-1(19)-en-18-yl] (2R,3S)-3-(3-fluoro-2-pyridinyl)-2-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate;[(2R,4S,6S,7R,10R,13S,14S,15S,16R,18S)-13-acetyloxy-4-ethenyl-16-hydroxy-7,15,19,20,20-pentamethyl-3,5,11-trioxapentacyclo[14.3.1.02,6.07,14.010,13]icos-1(19)-en-18-yl] (2R,3S)-3-(3-fluoro-2-pyridinyl)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-2-tri(propan-2-yl)silyloxypropanoate;[(2R,4S,6S,7R,10R,13S,14S,15S,16R,18S)-13-acetyloxy-16-hydroxy-7,15,19,20,20-pentamethyl-4-(morpholin-4-ylmethyl)-3,5,11-trioxapentacyclo[14.3.1.02,6.07,14.010,13]icos-1(19)-en-18-yl] (2R,3S)-3-(3-fluoro-2-pyridinyl)-2-hydroxy-3-(methylamino)propanoate;tert-butyl (2S,3R)-2-(3-fluoro-2-pyridinyl)-4-oxo-3-tri(propan-2-yl)silyloxyazetidine-1-carboxylate;[(2R,4S,6S,7R,10R,13S,14S,15S,16R,18S)-4-ethenyl-16,18-dihydroxy-7,15,19,20,20-pentamethyl-3,5,11-trioxapentacyclo[14.3.1.02,6.07,14.010,13]icos-1(19)-en-13-yl] acetate is sourced from PubChem (CID 159460632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).