(1S,2S,4R,6R,8S,9S,11S,12S,13R)-6-[3-[(3-aminophenoxy)methyl]-2-fluoro-6-methylphenyl]-11-hydroxy-8-(2-hydroxyacetyl)-9,13-dimethyl-5,7-dioxapentacyclo[10.8.0.02,9.04,8.013,18]icosa-14,17-dien-16-one;(1S,2S,4R,6R,8S,9S,11S,12S,13R)-6-[3-[2-(2-aminophenyl)ethyl]-2-fluoro-6-methylphenyl]-11-hydroxy-8-(2-hydroxyacetyl)-9,13-dimethyl-5,7-dioxapentacyclo[10.8.0.02,9.04,8.013,18]icosa-14,17-dien-16-one;(1S,2S,4R,6R,8S,9S,11S,12S,13R)-6-[3-[2-(3-aminophenyl)ethyl]-2-fluoro-6-methylphenyl]-11-hydroxy-8-(2-hydroxyacetyl)-9,13-dimethyl-5,7-dioxapentacyclo[10.8.0.02,9.04,8.013,18]icosa-14,17-dien-16-one;(1S,2S,4R,6S,8S,9S,11S,12S,13R)-6-[3-[(2-aminophenyl)methoxy]-2-fluoro-6-methoxyphenyl]-11-hydroxy-8-(2-hydroxyacetyl)-9,13-dimethyl-5,7-dioxapentacyclo[10.8.0.02,9.04,8.013,18]icosa-14,17-dien-16-one;(1S,2S,4R,6R,8S,9S,11S,12S,13R)-6-[3-[(2-aminophenyl)sulfanylmethyl]-2-fluoro-6-methylphenyl]-11-hydroxy-8-(2-hydroxyacetyl)-9,13-dimethyl-5,7-dioxapentacyclo[10.8.0.02,9.04,8.013,18]icosa-14,17-dien-16-one;(1S,2S,4R,6R,8S,9S,11S,12S,13R)-6-[3-[(3-aminophenyl)sulfanylmethyl]-2-fluoro-6-methylphenyl]-11-hydroxy-8-(2-hydroxyacetyl)-9,13-dimethyl-5,7-dioxapentacyclo[10.8.0.02,9.04,8.013,18]icosa-14,17-dien-16-one

C218H244F6N6O39S2 — CID 167549102

IUPAC(1S,2S,4R,6R,8S,9S,11S,12S,13R)-6-[3-[(3-aminophenoxy)methyl]-2-fluoro-6-methylphenyl]-11-hydroxy-8-(2-hydroxyacetyl)-9,13-dimethyl-5,7-dioxapentacyclo[10.8.0.02,9.04,8.013,18]icosa-14,17-dien-16-one;(1S,2S,4R,6R,8S,9S,11S,12S,13R)-6-[3-[2-(2-aminophenyl)ethyl]-2-fluoro-6-methylphenyl]-11-hydroxy-8-(2-hydroxyacetyl)-9,13-dimethyl-5,7-dioxapentacyclo[10.8.0.02,9.04,8.013,18]icosa-14,17-dien-16-one;(1S,2S,4R,6R,8S,9S,11S,12S,13R)-6-[3-[2-(3-aminophenyl)ethyl]-2-fluoro-6-methylphenyl]-11-hydroxy-8-(2-hydroxyacetyl)-9,13-dimethyl-5,7-dioxapentacyclo[10.8.0.02,9.04,8.013,18]icosa-14,17-dien-16-one;(1S,2S,4R,6S,8S,9S,11S,12S,13R)-6-[3-[(2-aminophenyl)methoxy]-2-fluoro-6-methoxyphenyl]-11-hydroxy-8-(2-hydroxyacetyl)-9,13-dimethyl-5,7-dioxapentacyclo[10.8.0.02,9.04,8.013,18]icosa-14,17-dien-16-one;(1S,2S,4R,6R,8S,9S,11S,12S,13R)-6-[3-[(2-aminophenyl)sulfanylmethyl]-2-fluoro-6-methylphenyl]-11-hydroxy-8-(2-hydroxyacetyl)-9,13-dimethyl-5,7-dioxapentacyclo[10.8.0.02,9.04,8.013,18]icosa-14,17-dien-16-one;(1S,2S,4R,6R,8S,9S,11S,12S,13R)-6-[3-[(3-aminophenyl)sulfanylmethyl]-2-fluoro-6-methylphenyl]-11-hydroxy-8-(2-hydroxyacetyl)-9,13-dimethyl-5,7-dioxapentacyclo[10.8.0.02,9.04,8.013,18]icosa-14,17-dien-16-one
SMILESCOc1ccc(OCc2ccccc2N)c(F)c1[C@H]1O[C@@H]2C[C@H]3[C@@H]4CCC5=CC(=O)C=C[C@]5(C)[C@H]4[C@@H](O)C[C@]3(C)[C@]2(C(=O)CO)O1.Cc1ccc(CCc2cccc(N)c2)c(F)c1[C@@H]1O[C@@H]2C[C@H]3[C@@H]4CCC5=CC(=O)C=C[C@]5(C)[C@H]4[C@@H](O)C[C@]3(C)[C@]2(C(=O)CO)O1.Cc1ccc(CCc2ccccc2N)c(F)c1[C@@H]1O[C@@H]2C[C@H]3[C@@H]4CCC5=CC(=O)C=C[C@]5(C)[C@H]4[C@@H](O)C[C@]3(C)[C@]2(C(=O)CO)O1.Cc1ccc(COc2cccc(N)c2)c(F)c1[C@@H]1O[C@@H]2C[C@H]3[C@@H]4CCC5=CC(=O)C=C[C@]5(C)[C@H]4[C@@H](O)C[C@]3(C)[C@]2(C(=O)CO)O1.Cc1ccc(CSc2cccc(N)c2)c(F)c1[C@@H]1O[C@@H]2C[C@H]3[C@@H]4CCC5=CC(=O)C=C[C@]5(C)[C@H]4[C@@H](O)C[C@]3(C)[C@]2(C(=O)CO)O1.Cc1ccc(CSc2ccccc2N)c(F)c1[C@@H]1O[C@@H]2C[C@H]3[C@@H]4CCC5=CC(=O)C=C[C@]5(C)[C@H]4[C@@H](O)C[C@]3(C)[C@]2(C(=O)CO)O1
InChIInChI=1S/2C37H42FNO6.C36H40FNO8.C36H40FNO7.2C36H40FNO6S/c1-20-7-9-22(10-8-21-5-4-6-24(39)15-21)33(38)31(20)34-44-30-17-27-26-12-11-23-16-25(41)13-14-35(23,2)32(26)28(42)18-36(27,3)37(30,45-34)29(43)19-40;1-20-8-9-22(11-10-21-6-4-5-7-27(21)39)33(38)31(20)34-44-30-17-26-25-13-12-23-16-24(41)14-15-35(23,2)32(25)28(42)18-36(26,3)37(30,45-34)29(43)19-40;1-34-13-12-21(40)14-20(34)8-9-22-23-15-29-36(28(42)17-39,35(23,2)16-25(41)31(22)34)46-33(45-29)30-26(43-3)10-11-27(32(30)37)44-18-19-6-4-5-7-24(19)38;1-19-7-8-20(18-43-24-6-4-5-22(38)14-24)32(37)30(19)33-44-29-15-26-25-10-9-21-13-23(40)11-12-34(21,2)31(25)27(41)16-35(26,3)36(29,45-33)28(42)17-39;1-19-7-8-20(18-45-24-6-4-5-22(38)14-24)32(37)30(19)33-43-29-15-26-25-10-9-21-13-23(40)11-12-34(21,2)31(25)27(41)16-35(26,3)36(29,44-33)28(42)17-39;1-19-8-9-20(18-45-27-7-5-4-6-25(27)38)32(37)30(19)33-43-29-15-24-23-11-10-21-14-22(40)12-13-34(21,2)31(23)26(41)16-35(24,3)36(29,44-33)28(42)17-39/h4-7,9,13-16,26-28,30,32,34,40,42H,8,10-12,17-19,39H2,1-3H3;4-9,14-16,25-26,28,30,32,34,40,42H,10-13,17-19,39H2,1-3H3;4-7,10-14,22-23,25,29,31,33,39,41H,8-9,15-18,38H2,1-3H3;2*4-8,11-14,25-27,29,31,33,39,41H,9-10,15-18,38H2,1-3H3;4-9,12-14,23-24,26,29,31,33,39,41H,10-11,15-18,38H2,1-3H3/t26-,27-,28-,30+,32+,34+,35-,36-,37+;25-,26-,28-,30+,32+,34+,35-,36-,37+;22-,23-,25-,29+,31+,33-,34-,35-,36+;2*25-,26-,27-,29+,31+,33+,34-,35-,36+;23-,24-,26-,29+,31+,33+,34-,35-,36+/m000000/s1
InChIKeyCEHKDHNFJCYXJV-JDPUBGJNSA-N
MW3750.47 g/mol
LogP30.93
Rot. Bonds37

About (1S,2S,4R,6R,8S,9S,11S,12S,13R)-6-[3-[(3-aminophenoxy)methyl]-2-fluoro-6-methylphenyl]-11-hydroxy-8-(2-hydroxyacetyl)-9,13-dimethyl-5,7-dioxapentacyclo[10.8.0.02,9.04,8.013,18]icosa-14,17-dien-16-one;(1S,2S,4R,6R,8S,9S,11S,12S,13R)-6-[3-[2-(2-aminophenyl)ethyl]-2-fluoro-6-methylphenyl]-11-hydroxy-8-(2-hydroxyacetyl)-9,13-dimethyl-5,7-dioxapentacyclo[10.8.0.02,9.04,8.013,18]icosa-14,17-dien-16-one;(1S,2S,4R,6R,8S,9S,11S,12S,13R)-6-[3-[2-(3-aminophenyl)ethyl]-2-fluoro-6-methylphenyl]-11-hydroxy-8-(2-hydroxyacetyl)-9,13-dimethyl-5,7-dioxapentacyclo[10.8.0.02,9.04,8.013,18]icosa-14,17-dien-16-one;(1S,2S,4R,6S,8S,9S,11S,12S,13R)-6-[3-[(2-aminophenyl)methoxy]-2-fluoro-6-methoxyphenyl]-11-hydroxy-8-(2-hydroxyacetyl)-9,13-dimethyl-5,7-dioxapentacyclo[10.8.0.02,9.04,8.013,18]icosa-14,17-dien-16-one;(1S,2S,4R,6R,8S,9S,11S,12S,13R)-6-[3-[(2-aminophenyl)sulfanylmethyl]-2-fluoro-6-methylphenyl]-11-hydroxy-8-(2-hydroxyacetyl)-9,13-dimethyl-5,7-dioxapentacyclo[10.8.0.02,9.04,8.013,18]icosa-14,17-dien-16-one;(1S,2S,4R,6R,8S,9S,11S,12S,13R)-6-[3-[(3-aminophenyl)sulfanylmethyl]-2-fluoro-6-methylphenyl]-11-hydroxy-8-(2-hydroxyacetyl)-9,13-dimethyl-5,7-dioxapentacyclo[10.8.0.02,9.04,8.013,18]icosa-14,17-dien-16-one

(1S,2S,4R,6R,8S,9S,11S,12S,13R)-6-[3-[(3-aminophenoxy)methyl]-2-fluoro-6-methylphenyl]-11-hydroxy-8-(2-hydroxyacetyl)-9,13-dimethyl-5,7-dioxapentacyclo[10.8.0.02,9.04,8.013,18]icosa-14,17-dien-16-one;(1S,2S,4R,6R,8S,9S,11S,12S,13R)-6-[3-[2-(2-aminophenyl)ethyl]-2-fluoro-6-methylphenyl]-11-hydroxy-8-(2-hydroxyacetyl)-9,13-dimethyl-5,7-dioxapentacyclo[10.8.0.02,9.04,8.013,18]icosa-14,17-dien-16-one;(1S,2S,4R,6R,8S,9S,11S,12S,13R)-6-[3-[2-(3-aminophenyl)ethyl]-2-fluoro-6-methylphenyl]-11-hydroxy-8-(2-hydroxyacetyl)-9,13-dimethyl-5,7-dioxapentacyclo[10.8.0.02,9.04,8.013,18]icosa-14,17-dien-16-one;(1S,2S,4R,6S,8S,9S,11S,12S,13R)-6-[3-[(2-aminophenyl)methoxy]-2-fluoro-6-methoxyphenyl]-11-hydroxy-8-(2-hydroxyacetyl)-9,13-dimethyl-5,7-dioxapentacyclo[10.8.0.02,9.04,8.013,18]icosa-14,17-dien-16-one;(1S,2S,4R,6R,8S,9S,11S,12S,13R)-6-[3-[(2-aminophenyl)sulfanylmethyl]-2-fluoro-6-methylphenyl]-11-hydroxy-8-(2-hydroxyacetyl)-9,13-dimethyl-5,7-dioxapentacyclo[10.8.0.02,9.04,8.013,18]icosa-14,17-dien-16-one;(1S,2S,4R,6R,8S,9S,11S,12S,13R)-6-[3-[(3-aminophenyl)sulfanylmethyl]-2-fluoro-6-methylphenyl]-11-hydroxy-8-(2-hydroxyacetyl)-9,13-dimethyl-5,7-dioxapentacyclo[10.8.0.02,9.04,8.013,18]icosa-14,17-dien-16-one (PubChem CID 167549102) has the molecular formula C218H244F6N6O39S2 and a molecular weight of 3750.47 g/mol. Its IUPAC name is (1S,2S,4R,6R,8S,9S,11S,12S,13R)-6-[3-[(3-aminophenoxy)methyl]-2-fluoro-6-methylphenyl]-11-hydroxy-8-(2-hydroxyacetyl)-9,13-dimethyl-5,7-dioxapentacyclo[10.8.0.02,9.04,8.013,18]icosa-14,17-dien-16-one;(1S,2S,4R,6R,8S,9S,11S,12S,13R)-6-[3-[2-(2-aminophenyl)ethyl]-2-fluoro-6-methylphenyl]-11-hydroxy-8-(2-hydroxyacetyl)-9,13-dimethyl-5,7-dioxapentacyclo[10.8.0.02,9.04,8.013,18]icosa-14,17-dien-16-one;(1S,2S,4R,6R,8S,9S,11S,12S,13R)-6-[3-[2-(3-aminophenyl)ethyl]-2-fluoro-6-methylphenyl]-11-hydroxy-8-(2-hydroxyacetyl)-9,13-dimethyl-5,7-dioxapentacyclo[10.8.0.02,9.04,8.013,18]icosa-14,17-dien-16-one;(1S,2S,4R,6S,8S,9S,11S,12S,13R)-6-[3-[(2-aminophenyl)methoxy]-2-fluoro-6-methoxyphenyl]-11-hydroxy-8-(2-hydroxyacetyl)-9,13-dimethyl-5,7-dioxapentacyclo[10.8.0.02,9.04,8.013,18]icosa-14,17-dien-16-one;(1S,2S,4R,6R,8S,9S,11S,12S,13R)-6-[3-[(2-aminophenyl)sulfanylmethyl]-2-fluoro-6-methylphenyl]-11-hydroxy-8-(2-hydroxyacetyl)-9,13-dimethyl-5,7-dioxapentacyclo[10.8.0.02,9.04,8.013,18]icosa-14,17-dien-16-one;(1S,2S,4R,6R,8S,9S,11S,12S,13R)-6-[3-[(3-aminophenyl)sulfanylmethyl]-2-fluoro-6-methylphenyl]-11-hydroxy-8-(2-hydroxyacetyl)-9,13-dimethyl-5,7-dioxapentacyclo[10.8.0.02,9.04,8.013,18]icosa-14,17-dien-16-one.

Molecular Properties

Compound Name(1S,2S,4R,6R,8S,9S,11S,12S,13R)-6-[3-[(3-aminophenoxy)methyl]-2-fluoro-6-methylphenyl]-11-hydroxy-8-(2-hydroxyacetyl)-9,13-dimethyl-5,7-dioxapentacyclo[10.8.0.02,9.04,8.013,18]icosa-14,17-dien-16-one;(1S,2S,4R,6R,8S,9S,11S,12S,13R)-6-[3-[2-(2-aminophenyl)ethyl]-2-fluoro-6-methylphenyl]-11-hydroxy-8-(2-hydroxyacetyl)-9,13-dimethyl-5,7-dioxapentacyclo[10.8.0.02,9.04,8.013,18]icosa-14,17-dien-16-one;(1S,2S,4R,6R,8S,9S,11S,12S,13R)-6-[3-[2-(3-aminophenyl)ethyl]-2-fluoro-6-methylphenyl]-11-hydroxy-8-(2-hydroxyacetyl)-9,13-dimethyl-5,7-dioxapentacyclo[10.8.0.02,9.04,8.013,18]icosa-14,17-dien-16-one;(1S,2S,4R,6S,8S,9S,11S,12S,13R)-6-[3-[(2-aminophenyl)methoxy]-2-fluoro-6-methoxyphenyl]-11-hydroxy-8-(2-hydroxyacetyl)-9,13-dimethyl-5,7-dioxapentacyclo[10.8.0.02,9.04,8.013,18]icosa-14,17-dien-16-one;(1S,2S,4R,6R,8S,9S,11S,12S,13R)-6-[3-[(2-aminophenyl)sulfanylmethyl]-2-fluoro-6-methylphenyl]-11-hydroxy-8-(2-hydroxyacetyl)-9,13-dimethyl-5,7-dioxapentacyclo[10.8.0.02,9.04,8.013,18]icosa-14,17-dien-16-one;(1S,2S,4R,6R,8S,9S,11S,12S,13R)-6-[3-[(3-aminophenyl)sulfanylmethyl]-2-fluoro-6-methylphenyl]-11-hydroxy-8-(2-hydroxyacetyl)-9,13-dimethyl-5,7-dioxapentacyclo[10.8.0.02,9.04,8.013,18]icosa-14,17-dien-16-one
PubChem CID167549102
Molecular FormulaC218H244F6N6O39S2
Molecular Weight3750.47 g/mol
Exact Mass3747.66
IUPAC Name(1S,2S,4R,6R,8S,9S,11S,12S,13R)-6-[3-[(3-aminophenoxy)methyl]-2-fluoro-6-methylphenyl]-11-hydroxy-8-(2-hydroxyacetyl)-9,13-dimethyl-5,7-dioxapentacyclo[10.8.0.02,9.04,8.013,18]icosa-14,17-dien-16-one;(1S,2S,4R,6R,8S,9S,11S,12S,13R)-6-[3-[2-(2-aminophenyl)ethyl]-2-fluoro-6-methylphenyl]-11-hydroxy-8-(2-hydroxyacetyl)-9,13-dimethyl-5,7-dioxapentacyclo[10.8.0.02,9.04,8.013,18]icosa-14,17-dien-16-one;(1S,2S,4R,6R,8S,9S,11S,12S,13R)-6-[3-[2-(3-aminophenyl)ethyl]-2-fluoro-6-methylphenyl]-11-hydroxy-8-(2-hydroxyacetyl)-9,13-dimethyl-5,7-dioxapentacyclo[10.8.0.02,9.04,8.013,18]icosa-14,17-dien-16-one;(1S,2S,4R,6S,8S,9S,11S,12S,13R)-6-[3-[(2-aminophenyl)methoxy]-2-fluoro-6-methoxyphenyl]-11-hydroxy-8-(2-hydroxyacetyl)-9,13-dimethyl-5,7-dioxapentacyclo[10.8.0.02,9.04,8.013,18]icosa-14,17-dien-16-one;(1S,2S,4R,6R,8S,9S,11S,12S,13R)-6-[3-[(2-aminophenyl)sulfanylmethyl]-2-fluoro-6-methylphenyl]-11-hydroxy-8-(2-hydroxyacetyl)-9,13-dimethyl-5,7-dioxapentacyclo[10.8.0.02,9.04,8.013,18]icosa-14,17-dien-16-one;(1S,2S,4R,6R,8S,9S,11S,12S,13R)-6-[3-[(3-aminophenyl)sulfanylmethyl]-2-fluoro-6-methylphenyl]-11-hydroxy-8-(2-hydroxyacetyl)-9,13-dimethyl-5,7-dioxapentacyclo[10.8.0.02,9.04,8.013,18]icosa-14,17-dien-16-one
SMILESCOc1ccc(OCc2ccccc2N)c(F)c1[C@H]1O[C@@H]2C[C@H]3[C@@H]4CCC5=CC(=O)C=C[C@]5(C)[C@H]4[C@@H](O)C[C@]3(C)[C@]2(C(=O)CO)O1.Cc1ccc(CCc2cccc(N)c2)c(F)c1[C@@H]1O[C@@H]2C[C@H]3[C@@H]4CCC5=CC(=O)C=C[C@]5(C)[C@H]4[C@@H](O)C[C@]3(C)[C@]2(C(=O)CO)O1.Cc1ccc(CCc2ccccc2N)c(F)c1[C@@H]1O[C@@H]2C[C@H]3[C@@H]4CCC5=CC(=O)C=C[C@]5(C)[C@H]4[C@@H](O)C[C@]3(C)[C@]2(C(=O)CO)O1.Cc1ccc(COc2cccc(N)c2)c(F)c1[C@@H]1O[C@@H]2C[C@H]3[C@@H]4CCC5=CC(=O)C=C[C@]5(C)[C@H]4[C@@H](O)C[C@]3(C)[C@]2(C(=O)CO)O1.Cc1ccc(CSc2cccc(N)c2)c(F)c1[C@@H]1O[C@@H]2C[C@H]3[C@@H]4CCC5=CC(=O)C=C[C@]5(C)[C@H]4[C@@H](O)C[C@]3(C)[C@]2(C(=O)CO)O1.Cc1ccc(CSc2ccccc2N)c(F)c1[C@@H]1O[C@@H]2C[C@H]3[C@@H]4CCC5=CC(=O)C=C[C@]5(C)[C@H]4[C@@H](O)C[C@]3(C)[C@]2(C(=O)CO)O1
InChIInChI=1S/2C37H42FNO6.C36H40FNO8.C36H40FNO7.2C36H40FNO6S/c1-20-7-9-22(10-8-21-5-4-6-24(39)15-21)33(38)31(20)34-44-30-17-27-26-12-11-23-16-25(41)13-14-35(23,2)32(26)28(42)18-36(27,3)37(30,45-34)29(43)19-40;1-20-8-9-22(11-10-21-6-4-5-7-27(21)39)33(38)31(20)34-44-30-17-26-25-13-12-23-16-24(41)14-15-35(23,2)32(25)28(42)18-36(26,3)37(30,45-34)29(43)19-40;1-34-13-12-21(40)14-20(34)8-9-22-23-15-29-36(28(42)17-39,35(23,2)16-25(41)31(22)34)46-33(45-29)30-26(43-3)10-11-27(32(30)37)44-18-19-6-4-5-7-24(19)38;1-19-7-8-20(18-43-24-6-4-5-22(38)14-24)32(37)30(19)33-44-29-15-26-25-10-9-21-13-23(40)11-12-34(21,2)31(25)27(41)16-35(26,3)36(29,45-33)28(42)17-39;1-19-7-8-20(18-45-24-6-4-5-22(38)14-24)32(37)30(19)33-43-29-15-26-25-10-9-21-13-23(40)11-12-34(21,2)31(25)27(41)16-35(26,3)36(29,44-33)28(42)17-39;1-19-8-9-20(18-45-27-7-5-4-6-25(27)38)32(37)30(19)33-43-29-15-24-23-11-10-21-14-22(40)12-13-34(21,2)31(23)26(41)16-35(24,3)36(29,44-33)28(42)17-39/h4-7,9,13-16,26-28,30,32,34,40,42H,8,10-12,17-19,39H2,1-3H3;4-9,14-16,25-26,28,30,32,34,40,42H,10-13,17-19,39H2,1-3H3;4-7,10-14,22-23,25,29,31,33,39,41H,8-9,15-18,38H2,1-3H3;2*4-8,11-14,25-27,29,31,33,39,41H,9-10,15-18,38H2,1-3H3;4-9,12-14,23-24,26,29,31,33,39,41H,10-11,15-18,38H2,1-3H3/t26-,27-,28-,30+,32+,34+,35-,36-,37+;25-,26-,28-,30+,32+,34+,35-,36-,37+;22-,23-,25-,29+,31+,33-,34-,35-,36+;2*25-,26-,27-,29+,31+,33+,34-,35-,36+;23-,24-,26-,29+,31+,33+,34-,35-,36+/m000000/s1
InChIKeyCEHKDHNFJCYXJV-JDPUBGJNSA-N
XLogP30.93
TPSA742.17 Ų
H-Bond Donors18
H-Bond Acceptors47
Rotatable Bonds37
Heavy Atoms271
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003750.47
LogP ≤ 530.93
H-Bond Donors ≤ 518
H-Bond Acceptors ≤ 1047

Analyze (1S,2S,4R,6R,8S,9S,11S,12S,13R)-6-[3-[(3-aminophenoxy)methyl]-2-fluoro-6-methylphenyl]-11-hydroxy-8-(2-hydroxyacetyl)-9,13-dimethyl-5,7-dioxapentacyclo[10.8.0.02,9.04,8.013,18]icosa-14,17-dien-16-one;(1S,2S,4R,6R,8S,9S,11S,12S,13R)-6-[3-[2-(2-aminophenyl)ethyl]-2-fluoro-6-methylphenyl]-11-hydroxy-8-(2-hydroxyacetyl)-9,13-dimethyl-5,7-dioxapentacyclo[10.8.0.02,9.04,8.013,18]icosa-14,17-dien-16-one;(1S,2S,4R,6R,8S,9S,11S,12S,13R)-6-[3-[2-(3-aminophenyl)ethyl]-2-fluoro-6-methylphenyl]-11-hydroxy-8-(2-hydroxyacetyl)-9,13-dimethyl-5,7-dioxapentacyclo[10.8.0.02,9.04,8.013,18]icosa-14,17-dien-16-one;(1S,2S,4R,6S,8S,9S,11S,12S,13R)-6-[3-[(2-aminophenyl)methoxy]-2-fluoro-6-methoxyphenyl]-11-hydroxy-8-(2-hydroxyacetyl)-9,13-dimethyl-5,7-dioxapentacyclo[10.8.0.02,9.04,8.013,18]icosa-14,17-dien-16-one;(1S,2S,4R,6R,8S,9S,11S,12S,13R)-6-[3-[(2-aminophenyl)sulfanylmethyl]-2-fluoro-6-methylphenyl]-11-hydroxy-8-(2-hydroxyacetyl)-9,13-dimethyl-5,7-dioxapentacyclo[10.8.0.02,9.04,8.013,18]icosa-14,17-dien-16-one;(1S,2S,4R,6R,8S,9S,11S,12S,13R)-6-[3-[(3-aminophenyl)sulfanylmethyl]-2-fluoro-6-methylphenyl]-11-hydroxy-8-(2-hydroxyacetyl)-9,13-dimethyl-5,7-dioxapentacyclo[10.8.0.02,9.04,8.013,18]icosa-14,17-dien-16-one with MolForge

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Related Compounds

(1S,2S,4R,6S,8S,9S,11S,13R)-6-[3-[(3-aminophenyl)sulfanylmethyl]-2-fluoro-6-methylphenyl]-11-hydroxy-8-(2-hydroxyacetyl)-9,13-dimethyl-5,7-dioxapentacyclo[10.8.0.02,9.04,8.013,18]icosa-14,17-dien-16-one
CID 165145256
(1S,2S,4R,6S,8S,9S,11S,12S,13R)-6-[3-[(3-aminophenyl)methoxy]-2-fluoro-6-methoxyphenyl]-11-hydroxy-8-(2-hydroxyacetyl)-9,13-dimethyl-5,7-dioxapentacyclo[10.8.0.02,9.04,8.013,18]icosa-14,17-dien-16-one
CID 165145135
(1S,2S,4R,6R,8S,9S,11S,12S,13R)-6-[4-[(3-aminophenyl)sulfanylmethyl]phenyl]-11-hydroxy-8-(2-hydroxyacetyl)-9,13-dimethyl-5,7-dioxapentacyclo[10.8.0.02,9.04,8.013,18]icosa-14,17-dien-16-one
CID 134491864
(1S,2S,4R,6S,8S,9S,11S,12S,13R)-6-[3-[(3-aminophenyl)methoxy]-2,4-difluorophenyl]-11-hydroxy-8-(2-hydroxyacetyl)-9,13-dimethyl-5,7-dioxapentacyclo[10.8.0.02,9.04,8.013,18]icosa-14,17-dien-16-one
CID 165384944
1-[(1S,4R,6R,8S,9S,11S,13R)-6-[5-[(2-aminophenyl)methoxy]-2-methoxyphenyl]-11,16-dihydroxy-9,13-dimethyl-5,7-dioxapentacyclo[10.8.0.02,9.04,8.013,18]icosa-14,17-dien-8-yl]-2-hydroxyethanone
CID 165145041
(1S,2S,4R,6R,8S,9S,11S,12S,13R)-6-[5-[(3-aminophenyl)methoxy]-2-iodophenyl]-11-hydroxy-8-(2-hydroxyacetyl)-9,13-dimethyl-5,7-dioxapentacyclo[10.8.0.02,9.04,8.013,18]icosa-14,17-dien-16-one
CID 165384917
[(1R,2S,3R,5R)-2,3-diacetyloxy-5-[2-[(1S,4R,6S,8S,9S,11S,13R)-6-[3-[(3-aminophenyl)methoxy]-2-fluoro-6-methylphenyl]-11-hydroxy-9,13-dimethyl-16-oxo-5,7-dioxapentacyclo[10.8.0.02,9.04,8.013,18]icosa-14,17-dien-8-yl]-2-oxoethoxy]cyclohexyl]methyl acetate
CID 170277052
(1S,2S,4R,6R,8S,9S,11S,12S,13R)-6-[2-fluoro-4-methyl-3-[(3-methylphenyl)methylsulfanyl]phenyl]-11-hydroxy-8-(2-hydroxyacetyl)-9,13-dimethyl-5,7-dioxapentacyclo[10.8.0.02,9.04,8.013,18]icosa-14,17-dien-16-one
CID 167698298
(1S,2S,4R,6S,8S,9S,11S,12S,13R)-6-[3-[(3-aminophenyl)methoxy]-5-chlorophenyl]-11-hydroxy-8-(2-hydroxyacetyl)-9,13-dimethyl-5,7-dioxapentacyclo[10.8.0.02,9.04,8.013,18]icosa-14,17-dien-16-one
CID 165384974
(2S,4R,6R,8S,9S,11S,12S,13R)-6-[4-[(3-aminophenyl)methyl]phenyl]-11-hydroxy-8-(2-hydroxyacetyl)-9,13-dimethyl-5,7-dioxapentacyclo[10.8.0.02,9.04,8.013,18]icosa-14,17-dien-16-one
CID 164574266
(1S,2S,4R,8S,9S,11S,12S,13R)-6-[4-[2-(3-aminophenyl)acetyl]phenyl]-11-hydroxy-8-(2-hydroxyacetyl)-9,13-dimethyl-5,7-dioxapentacyclo[10.8.0.02,9.04,8.013,18]icosa-14,17-dien-16-one
CID 167576520
(1S,2S,4R,6S,8S,9S,11S,12S,13R)-6-[4-[2-(3-aminophenyl)acetyl]phenyl]-11-hydroxy-8-(2-hydroxyacetyl)-9,13-dimethyl-5,7-dioxapentacyclo[10.8.0.02,9.04,8.013,18]icosa-14,17-dien-16-one
CID 160834978

Frequently Asked Questions

What is the IUPAC name of (1S,2S,4R,6R,8S,9S,11S,12S,13R)-6-[3-[(3-aminophenoxy)methyl]-2-fluoro-6-methylphenyl]-11-hydroxy-8-(2-hydroxyacetyl)-9,13-dimethyl-5,7-dioxapentacyclo[10.8.0.02,9.04,8.013,18]icosa-14,17-dien-16-one;(1S,2S,4R,6R,8S,9S,11S,12S,13R)-6-[3-[2-(2-aminophenyl)ethyl]-2-fluoro-6-methylphenyl]-11-hydroxy-8-(2-hydroxyacetyl)-9,13-dimethyl-5,7-dioxapentacyclo[10.8.0.02,9.04,8.013,18]icosa-14,17-dien-16-one;(1S,2S,4R,6R,8S,9S,11S,12S,13R)-6-[3-[2-(3-aminophenyl)ethyl]-2-fluoro-6-methylphenyl]-11-hydroxy-8-(2-hydroxyacetyl)-9,13-dimethyl-5,7-dioxapentacyclo[10.8.0.02,9.04,8.013,18]icosa-14,17-dien-16-one;(1S,2S,4R,6S,8S,9S,11S,12S,13R)-6-[3-[(2-aminophenyl)methoxy]-2-fluoro-6-methoxyphenyl]-11-hydroxy-8-(2-hydroxyacetyl)-9,13-dimethyl-5,7-dioxapentacyclo[10.8.0.02,9.04,8.013,18]icosa-14,17-dien-16-one;(1S,2S,4R,6R,8S,9S,11S,12S,13R)-6-[3-[(2-aminophenyl)sulfanylmethyl]-2-fluoro-6-methylphenyl]-11-hydroxy-8-(2-hydroxyacetyl)-9,13-dimethyl-5,7-dioxapentacyclo[10.8.0.02,9.04,8.013,18]icosa-14,17-dien-16-one;(1S,2S,4R,6R,8S,9S,11S,12S,13R)-6-[3-[(3-aminophenyl)sulfanylmethyl]-2-fluoro-6-methylphenyl]-11-hydroxy-8-(2-hydroxyacetyl)-9,13-dimethyl-5,7-dioxapentacyclo[10.8.0.02,9.04,8.013,18]icosa-14,17-dien-16-one?
The IUPAC name of (1S,2S,4R,6R,8S,9S,11S,12S,13R)-6-[3-[(3-aminophenoxy)methyl]-2-fluoro-6-methylphenyl]-11-hydroxy-8-(2-hydroxyacetyl)-9,13-dimethyl-5,7-dioxapentacyclo[10.8.0.02,9.04,8.013,18]icosa-14,17-dien-16-one;(1S,2S,4R,6R,8S,9S,11S,12S,13R)-6-[3-[2-(2-aminophenyl)ethyl]-2-fluoro-6-methylphenyl]-11-hydroxy-8-(2-hydroxyacetyl)-9,13-dimethyl-5,7-dioxapentacyclo[10.8.0.02,9.04,8.013,18]icosa-14,17-dien-16-one;(1S,2S,4R,6R,8S,9S,11S,12S,13R)-6-[3-[2-(3-aminophenyl)ethyl]-2-fluoro-6-methylphenyl]-11-hydroxy-8-(2-hydroxyacetyl)-9,13-dimethyl-5,7-dioxapentacyclo[10.8.0.02,9.04,8.013,18]icosa-14,17-dien-16-one;(1S,2S,4R,6S,8S,9S,11S,12S,13R)-6-[3-[(2-aminophenyl)methoxy]-2-fluoro-6-methoxyphenyl]-11-hydroxy-8-(2-hydroxyacetyl)-9,13-dimethyl-5,7-dioxapentacyclo[10.8.0.02,9.04,8.013,18]icosa-14,17-dien-16-one;(1S,2S,4R,6R,8S,9S,11S,12S,13R)-6-[3-[(2-aminophenyl)sulfanylmethyl]-2-fluoro-6-methylphenyl]-11-hydroxy-8-(2-hydroxyacetyl)-9,13-dimethyl-5,7-dioxapentacyclo[10.8.0.02,9.04,8.013,18]icosa-14,17-dien-16-one;(1S,2S,4R,6R,8S,9S,11S,12S,13R)-6-[3-[(3-aminophenyl)sulfanylmethyl]-2-fluoro-6-methylphenyl]-11-hydroxy-8-(2-hydroxyacetyl)-9,13-dimethyl-5,7-dioxapentacyclo[10.8.0.02,9.04,8.013,18]icosa-14,17-dien-16-one (CID 167549102) is (1S,2S,4R,6R,8S,9S,11S,12S,13R)-6-[3-[(3-aminophenoxy)methyl]-2-fluoro-6-methylphenyl]-11-hydroxy-8-(2-hydroxyacetyl)-9,13-dimethyl-5,7-dioxapentacyclo[10.8.0.02,9.04,8.013,18]icosa-14,17-dien-16-one;(1S,2S,4R,6R,8S,9S,11S,12S,13R)-6-[3-[2-(2-aminophenyl)ethyl]-2-fluoro-6-methylphenyl]-11-hydroxy-8-(2-hydroxyacetyl)-9,13-dimethyl-5,7-dioxapentacyclo[10.8.0.02,9.04,8.013,18]icosa-14,17-dien-16-one;(1S,2S,4R,6R,8S,9S,11S,12S,13R)-6-[3-[2-(3-aminophenyl)ethyl]-2-fluoro-6-methylphenyl]-11-hydroxy-8-(2-hydroxyacetyl)-9,13-dimethyl-5,7-dioxapentacyclo[10.8.0.02,9.04,8.013,18]icosa-14,17-dien-16-one;(1S,2S,4R,6S,8S,9S,11S,12S,13R)-6-[3-[(2-aminophenyl)methoxy]-2-fluoro-6-methoxyphenyl]-11-hydroxy-8-(2-hydroxyacetyl)-9,13-dimethyl-5,7-dioxapentacyclo[10.8.0.02,9.04,8.013,18]icosa-14,17-dien-16-one;(1S,2S,4R,6R,8S,9S,11S,12S,13R)-6-[3-[(2-aminophenyl)sulfanylmethyl]-2-fluoro-6-methylphenyl]-11-hydroxy-8-(2-hydroxyacetyl)-9,13-dimethyl-5,7-dioxapentacyclo[10.8.0.02,9.04,8.013,18]icosa-14,17-dien-16-one;(1S,2S,4R,6R,8S,9S,11S,12S,13R)-6-[3-[(3-aminophenyl)sulfanylmethyl]-2-fluoro-6-methylphenyl]-11-hydroxy-8-(2-hydroxyacetyl)-9,13-dimethyl-5,7-dioxapentacyclo[10.8.0.02,9.04,8.013,18]icosa-14,17-dien-16-one.
What is the SMILES notation for (1S,2S,4R,6R,8S,9S,11S,12S,13R)-6-[3-[(3-aminophenoxy)methyl]-2-fluoro-6-methylphenyl]-11-hydroxy-8-(2-hydroxyacetyl)-9,13-dimethyl-5,7-dioxapentacyclo[10.8.0.02,9.04,8.013,18]icosa-14,17-dien-16-one;(1S,2S,4R,6R,8S,9S,11S,12S,13R)-6-[3-[2-(2-aminophenyl)ethyl]-2-fluoro-6-methylphenyl]-11-hydroxy-8-(2-hydroxyacetyl)-9,13-dimethyl-5,7-dioxapentacyclo[10.8.0.02,9.04,8.013,18]icosa-14,17-dien-16-one;(1S,2S,4R,6R,8S,9S,11S,12S,13R)-6-[3-[2-(3-aminophenyl)ethyl]-2-fluoro-6-methylphenyl]-11-hydroxy-8-(2-hydroxyacetyl)-9,13-dimethyl-5,7-dioxapentacyclo[10.8.0.02,9.04,8.013,18]icosa-14,17-dien-16-one;(1S,2S,4R,6S,8S,9S,11S,12S,13R)-6-[3-[(2-aminophenyl)methoxy]-2-fluoro-6-methoxyphenyl]-11-hydroxy-8-(2-hydroxyacetyl)-9,13-dimethyl-5,7-dioxapentacyclo[10.8.0.02,9.04,8.013,18]icosa-14,17-dien-16-one;(1S,2S,4R,6R,8S,9S,11S,12S,13R)-6-[3-[(2-aminophenyl)sulfanylmethyl]-2-fluoro-6-methylphenyl]-11-hydroxy-8-(2-hydroxyacetyl)-9,13-dimethyl-5,7-dioxapentacyclo[10.8.0.02,9.04,8.013,18]icosa-14,17-dien-16-one;(1S,2S,4R,6R,8S,9S,11S,12S,13R)-6-[3-[(3-aminophenyl)sulfanylmethyl]-2-fluoro-6-methylphenyl]-11-hydroxy-8-(2-hydroxyacetyl)-9,13-dimethyl-5,7-dioxapentacyclo[10.8.0.02,9.04,8.013,18]icosa-14,17-dien-16-one?
The canonical SMILES for (1S,2S,4R,6R,8S,9S,11S,12S,13R)-6-[3-[(3-aminophenoxy)methyl]-2-fluoro-6-methylphenyl]-11-hydroxy-8-(2-hydroxyacetyl)-9,13-dimethyl-5,7-dioxapentacyclo[10.8.0.02,9.04,8.013,18]icosa-14,17-dien-16-one;(1S,2S,4R,6R,8S,9S,11S,12S,13R)-6-[3-[2-(2-aminophenyl)ethyl]-2-fluoro-6-methylphenyl]-11-hydroxy-8-(2-hydroxyacetyl)-9,13-dimethyl-5,7-dioxapentacyclo[10.8.0.02,9.04,8.013,18]icosa-14,17-dien-16-one;(1S,2S,4R,6R,8S,9S,11S,12S,13R)-6-[3-[2-(3-aminophenyl)ethyl]-2-fluoro-6-methylphenyl]-11-hydroxy-8-(2-hydroxyacetyl)-9,13-dimethyl-5,7-dioxapentacyclo[10.8.0.02,9.04,8.013,18]icosa-14,17-dien-16-one;(1S,2S,4R,6S,8S,9S,11S,12S,13R)-6-[3-[(2-aminophenyl)methoxy]-2-fluoro-6-methoxyphenyl]-11-hydroxy-8-(2-hydroxyacetyl)-9,13-dimethyl-5,7-dioxapentacyclo[10.8.0.02,9.04,8.013,18]icosa-14,17-dien-16-one;(1S,2S,4R,6R,8S,9S,11S,12S,13R)-6-[3-[(2-aminophenyl)sulfanylmethyl]-2-fluoro-6-methylphenyl]-11-hydroxy-8-(2-hydroxyacetyl)-9,13-dimethyl-5,7-dioxapentacyclo[10.8.0.02,9.04,8.013,18]icosa-14,17-dien-16-one;(1S,2S,4R,6R,8S,9S,11S,12S,13R)-6-[3-[(3-aminophenyl)sulfanylmethyl]-2-fluoro-6-methylphenyl]-11-hydroxy-8-(2-hydroxyacetyl)-9,13-dimethyl-5,7-dioxapentacyclo[10.8.0.02,9.04,8.013,18]icosa-14,17-dien-16-one is COc1ccc(OCc2ccccc2N)c(F)c1[C@H]1O[C@@H]2C[C@H]3[C@@H]4CCC5=CC(=O)C=C[C@]5(C)[C@H]4[C@@H](O)C[C@]3(C)[C@]2(C(=O)CO)O1.Cc1ccc(CCc2cccc(N)c2)c(F)c1[C@@H]1O[C@@H]2C[C@H]3[C@@H]4CCC5=CC(=O)C=C[C@]5(C)[C@H]4[C@@H](O)C[C@]3(C)[C@]2(C(=O)CO)O1.Cc1ccc(CCc2ccccc2N)c(F)c1[C@@H]1O[C@@H]2C[C@H]3[C@@H]4CCC5=CC(=O)C=C[C@]5(C)[C@H]4[C@@H](O)C[C@]3(C)[C@]2(C(=O)CO)O1.Cc1ccc(COc2cccc(N)c2)c(F)c1[C@@H]1O[C@@H]2C[C@H]3[C@@H]4CCC5=CC(=O)C=C[C@]5(C)[C@H]4[C@@H](O)C[C@]3(C)[C@]2(C(=O)CO)O1.Cc1ccc(CSc2cccc(N)c2)c(F)c1[C@@H]1O[C@@H]2C[C@H]3[C@@H]4CCC5=CC(=O)C=C[C@]5(C)[C@H]4[C@@H](O)C[C@]3(C)[C@]2(C(=O)CO)O1.Cc1ccc(CSc2ccccc2N)c(F)c1[C@@H]1O[C@@H]2C[C@H]3[C@@H]4CCC5=CC(=O)C=C[C@]5(C)[C@H]4[C@@H](O)C[C@]3(C)[C@]2(C(=O)CO)O1.
What is the InChIKey of (1S,2S,4R,6R,8S,9S,11S,12S,13R)-6-[3-[(3-aminophenoxy)methyl]-2-fluoro-6-methylphenyl]-11-hydroxy-8-(2-hydroxyacetyl)-9,13-dimethyl-5,7-dioxapentacyclo[10.8.0.02,9.04,8.013,18]icosa-14,17-dien-16-one;(1S,2S,4R,6R,8S,9S,11S,12S,13R)-6-[3-[2-(2-aminophenyl)ethyl]-2-fluoro-6-methylphenyl]-11-hydroxy-8-(2-hydroxyacetyl)-9,13-dimethyl-5,7-dioxapentacyclo[10.8.0.02,9.04,8.013,18]icosa-14,17-dien-16-one;(1S,2S,4R,6R,8S,9S,11S,12S,13R)-6-[3-[2-(3-aminophenyl)ethyl]-2-fluoro-6-methylphenyl]-11-hydroxy-8-(2-hydroxyacetyl)-9,13-dimethyl-5,7-dioxapentacyclo[10.8.0.02,9.04,8.013,18]icosa-14,17-dien-16-one;(1S,2S,4R,6S,8S,9S,11S,12S,13R)-6-[3-[(2-aminophenyl)methoxy]-2-fluoro-6-methoxyphenyl]-11-hydroxy-8-(2-hydroxyacetyl)-9,13-dimethyl-5,7-dioxapentacyclo[10.8.0.02,9.04,8.013,18]icosa-14,17-dien-16-one;(1S,2S,4R,6R,8S,9S,11S,12S,13R)-6-[3-[(2-aminophenyl)sulfanylmethyl]-2-fluoro-6-methylphenyl]-11-hydroxy-8-(2-hydroxyacetyl)-9,13-dimethyl-5,7-dioxapentacyclo[10.8.0.02,9.04,8.013,18]icosa-14,17-dien-16-one;(1S,2S,4R,6R,8S,9S,11S,12S,13R)-6-[3-[(3-aminophenyl)sulfanylmethyl]-2-fluoro-6-methylphenyl]-11-hydroxy-8-(2-hydroxyacetyl)-9,13-dimethyl-5,7-dioxapentacyclo[10.8.0.02,9.04,8.013,18]icosa-14,17-dien-16-one?
The InChIKey is CEHKDHNFJCYXJV-JDPUBGJNSA-N. The full InChI is InChI=1S/2C37H42FNO6.C36H40FNO8.C36H40FNO7.2C36H40FNO6S/c1-20-7-9-22(10-8-21-5-4-6-24(39)15-21)33(38)31(20)34-44-30-17-27-26-12-11-23-16-25(41)13-14-35(23,2)32(26)28(42)18-36(27,3)37(30,45-34)29(43)19-40;1-20-8-9-22(11-10-21-6-4-5-7-27(21)39)33(38)31(20)34-44-30-17-26-25-13-12-23-16-24(41)14-15-35(23,2)32(25)28(42)18-36(26,3)37(30,45-34)29(43)19-40;1-34-13-12-21(40)14-20(34)8-9-22-23-15-29-36(28(42)17-39,35(23,2)16-25(41)31(22)34)46-33(45-29)30-26(43-3)10-11-27(32(30)37)44-18-19-6-4-5-7-24(19)38;1-19-7-8-20(18-43-24-6-4-5-22(38)14-24)32(37)30(19)33-44-29-15-26-25-10-9-21-13-23(40)11-12-34(21,2)31(25)27(41)16-35(26,3)36(29,45-33)28(42)17-39;1-19-7-8-20(18-45-24-6-4-5-22(38)14-24)32(37)30(19)33-43-29-15-26-25-10-9-21-13-23(40)11-12-34(21,2)31(25)27(41)16-35(26,3)36(29,44-33)28(42)17-39;1-19-8-9-20(18-45-27-7-5-4-6-25(27)38)32(37)30(19)33-43-29-15-24-23-11-10-21-14-22(40)12-13-34(21,2)31(23)26(41)16-35(24,3)36(29,44-33)28(42)17-39/h4-7,9,13-16,26-28,30,32,34,40,42H,8,10-12,17-19,39H2,1-3H3;4-9,14-16,25-26,28,30,32,34,40,42H,10-13,17-19,39H2,1-3H3;4-7,10-14,22-23,25,29,31,33,39,41H,8-9,15-18,38H2,1-3H3;2*4-8,11-14,25-27,29,31,33,39,41H,9-10,15-18,38H2,1-3H3;4-9,12-14,23-24,26,29,31,33,39,41H,10-11,15-18,38H2,1-3H3/t26-,27-,28-,30+,32+,34+,35-,36-,37+;25-,26-,28-,30+,32+,34+,35-,36-,37+;22-,23-,25-,29+,31+,33-,34-,35-,36+;2*25-,26-,27-,29+,31+,33+,34-,35-,36+;23-,24-,26-,29+,31+,33+,34-,35-,36+/m000000/s1.
What are the key properties of (1S,2S,4R,6R,8S,9S,11S,12S,13R)-6-[3-[(3-aminophenoxy)methyl]-2-fluoro-6-methylphenyl]-11-hydroxy-8-(2-hydroxyacetyl)-9,13-dimethyl-5,7-dioxapentacyclo[10.8.0.02,9.04,8.013,18]icosa-14,17-dien-16-one;(1S,2S,4R,6R,8S,9S,11S,12S,13R)-6-[3-[2-(2-aminophenyl)ethyl]-2-fluoro-6-methylphenyl]-11-hydroxy-8-(2-hydroxyacetyl)-9,13-dimethyl-5,7-dioxapentacyclo[10.8.0.02,9.04,8.013,18]icosa-14,17-dien-16-one;(1S,2S,4R,6R,8S,9S,11S,12S,13R)-6-[3-[2-(3-aminophenyl)ethyl]-2-fluoro-6-methylphenyl]-11-hydroxy-8-(2-hydroxyacetyl)-9,13-dimethyl-5,7-dioxapentacyclo[10.8.0.02,9.04,8.013,18]icosa-14,17-dien-16-one;(1S,2S,4R,6S,8S,9S,11S,12S,13R)-6-[3-[(2-aminophenyl)methoxy]-2-fluoro-6-methoxyphenyl]-11-hydroxy-8-(2-hydroxyacetyl)-9,13-dimethyl-5,7-dioxapentacyclo[10.8.0.02,9.04,8.013,18]icosa-14,17-dien-16-one;(1S,2S,4R,6R,8S,9S,11S,12S,13R)-6-[3-[(2-aminophenyl)sulfanylmethyl]-2-fluoro-6-methylphenyl]-11-hydroxy-8-(2-hydroxyacetyl)-9,13-dimethyl-5,7-dioxapentacyclo[10.8.0.02,9.04,8.013,18]icosa-14,17-dien-16-one;(1S,2S,4R,6R,8S,9S,11S,12S,13R)-6-[3-[(3-aminophenyl)sulfanylmethyl]-2-fluoro-6-methylphenyl]-11-hydroxy-8-(2-hydroxyacetyl)-9,13-dimethyl-5,7-dioxapentacyclo[10.8.0.02,9.04,8.013,18]icosa-14,17-dien-16-one?
(1S,2S,4R,6R,8S,9S,11S,12S,13R)-6-[3-[(3-aminophenoxy)methyl]-2-fluoro-6-methylphenyl]-11-hydroxy-8-(2-hydroxyacetyl)-9,13-dimethyl-5,7-dioxapentacyclo[10.8.0.02,9.04,8.013,18]icosa-14,17-dien-16-one;(1S,2S,4R,6R,8S,9S,11S,12S,13R)-6-[3-[2-(2-aminophenyl)ethyl]-2-fluoro-6-methylphenyl]-11-hydroxy-8-(2-hydroxyacetyl)-9,13-dimethyl-5,7-dioxapentacyclo[10.8.0.02,9.04,8.013,18]icosa-14,17-dien-16-one;(1S,2S,4R,6R,8S,9S,11S,12S,13R)-6-[3-[2-(3-aminophenyl)ethyl]-2-fluoro-6-methylphenyl]-11-hydroxy-8-(2-hydroxyacetyl)-9,13-dimethyl-5,7-dioxapentacyclo[10.8.0.02,9.04,8.013,18]icosa-14,17-dien-16-one;(1S,2S,4R,6S,8S,9S,11S,12S,13R)-6-[3-[(2-aminophenyl)methoxy]-2-fluoro-6-methoxyphenyl]-11-hydroxy-8-(2-hydroxyacetyl)-9,13-dimethyl-5,7-dioxapentacyclo[10.8.0.02,9.04,8.013,18]icosa-14,17-dien-16-one;(1S,2S,4R,6R,8S,9S,11S,12S,13R)-6-[3-[(2-aminophenyl)sulfanylmethyl]-2-fluoro-6-methylphenyl]-11-hydroxy-8-(2-hydroxyacetyl)-9,13-dimethyl-5,7-dioxapentacyclo[10.8.0.02,9.04,8.013,18]icosa-14,17-dien-16-one;(1S,2S,4R,6R,8S,9S,11S,12S,13R)-6-[3-[(3-aminophenyl)sulfanylmethyl]-2-fluoro-6-methylphenyl]-11-hydroxy-8-(2-hydroxyacetyl)-9,13-dimethyl-5,7-dioxapentacyclo[10.8.0.02,9.04,8.013,18]icosa-14,17-dien-16-one has a molecular weight of 3750.47 g/mol, XLogP of 30.93, 37 rotatable bonds, 18 hydrogen bond donors, and 47 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2S,4R,6R,8S,9S,11S,12S,13R)-6-[3-[(3-aminophenoxy)methyl]-2-fluoro-6-methylphenyl]-11-hydroxy-8-(2-hydroxyacetyl)-9,13-dimethyl-5,7-dioxapentacyclo[10.8.0.02,9.04,8.013,18]icosa-14,17-dien-16-one;(1S,2S,4R,6R,8S,9S,11S,12S,13R)-6-[3-[2-(2-aminophenyl)ethyl]-2-fluoro-6-methylphenyl]-11-hydroxy-8-(2-hydroxyacetyl)-9,13-dimethyl-5,7-dioxapentacyclo[10.8.0.02,9.04,8.013,18]icosa-14,17-dien-16-one;(1S,2S,4R,6R,8S,9S,11S,12S,13R)-6-[3-[2-(3-aminophenyl)ethyl]-2-fluoro-6-methylphenyl]-11-hydroxy-8-(2-hydroxyacetyl)-9,13-dimethyl-5,7-dioxapentacyclo[10.8.0.02,9.04,8.013,18]icosa-14,17-dien-16-one;(1S,2S,4R,6S,8S,9S,11S,12S,13R)-6-[3-[(2-aminophenyl)methoxy]-2-fluoro-6-methoxyphenyl]-11-hydroxy-8-(2-hydroxyacetyl)-9,13-dimethyl-5,7-dioxapentacyclo[10.8.0.02,9.04,8.013,18]icosa-14,17-dien-16-one;(1S,2S,4R,6R,8S,9S,11S,12S,13R)-6-[3-[(2-aminophenyl)sulfanylmethyl]-2-fluoro-6-methylphenyl]-11-hydroxy-8-(2-hydroxyacetyl)-9,13-dimethyl-5,7-dioxapentacyclo[10.8.0.02,9.04,8.013,18]icosa-14,17-dien-16-one;(1S,2S,4R,6R,8S,9S,11S,12S,13R)-6-[3-[(3-aminophenyl)sulfanylmethyl]-2-fluoro-6-methylphenyl]-11-hydroxy-8-(2-hydroxyacetyl)-9,13-dimethyl-5,7-dioxapentacyclo[10.8.0.02,9.04,8.013,18]icosa-14,17-dien-16-one is sourced from PubChem (CID 167549102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).