(2R,3R,6S,8R,9R,10R,13E,16S,17S,18R)-9-[(2R,3R,4S,6R)-4-(dimethylamino)-6-methyl-3-oxidanyl-oxan-2-yl]oxy-3-ethyl-6-fluoranyl-2,6,8,10,16,18-hexamethyl-2,17-bis(oxidanyl)-13-[(6-pyrazol-1-ylpyridin-3-yl)methoxyimino]-4,11,15-trioxabicyclo[8.5.4]nonadecane-5,7-dione

Systemtic Name: (2R,3R,6S,8R,9R,10R,13E,16S,17S,18R)-9-[(2R,3R,4S,6R)-4-(dimethylamino)-6-methyl-3-oxidanyl-oxan-2-yl]oxy-3-ethyl-6-fluoranyl-2,6,8,10,16,18-hexamethyl-2,17-bis(oxidanyl)-13-[(6-pyrazol-1-ylpyridin-3-yl)methoxyimino]-4,11,15-trioxabicyclo[8.5.4]nonadecane-5,7-dione Openeye Name: (2R,3R,6S,8R,9R,10R,13E,16S,17S,18R)-9-[(2R,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyl-tetrahydropyran-2-yl]oxy-3-ethyl-6-fluoro-2,17-dihydroxy-2,6,8,10,16,18-hexamethyl-13-[(6-pyrazol-1-yl-3-pyridyl)methoxyimino]-4,11,15-trioxabicyclo[8.5.4]nonadecane-5,7-dione CAS Name: (2R,3R,6S,8R,9R,10R,13E,16S,17S,18R)-9-[[(2R,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyl-2-oxanyl]oxy]-3-ethyl-6-fluoro-2,17-dihydroxy-2,6,8,10,16,18-hexamethyl-13-[[6-(1-pyrazolyl)-3-pyridinyl]methoxyimino]-4,11,15-trioxabicyclo[8.5.4]nonadecane-5,7-dione IUPAC Name: (2R,3R,6S,8R,9R,10R,13E,16S,17S,18R)-9-[(2R,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-3-ethyl-6-fluoro-2,17-dihydroxy-2,6,8,10,16,18-hexamethyl-13-[(6-pyrazol-1-ylpyridin-3-yl)methoxyimino]-4,11,15-trioxabicyclo[8.5.4]nonadecane-5,7-dione Traditional Name: (2R,3R,6S,8R,9R,10R,13E,16S,17S,18R)-9-[(2R,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyl-tetrahydropyran-2-yl]oxy-3-ethyl-6-fluoro-2,17-dihydroxy-2,6,8,10,16,18-hexamethyl-13-[(6-pyrazol-1-yl-3-pyridyl)methyloximino]-4,11,15-trioxabicyclo[8.5.4]nonadecane-5,7-quinone Formula: C41H62FN5O11 MolecularWeight: 819.956283

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1C(C2C(C(C(CC(C(C(C(=O)C(C(=O)O1)(C)F)C)OC3C(C(CC(O3)C)N(C)C)O)(OCC(=NOCC4=CN=C(C=C4)N5C=CC=N5)CO2)C)C)O)C)(C)O

Isomeric SMILES

CC[C@@H]1[C@@](C2[C@H]([C@H]([C@@H](C[C@]([C@@H]([C@H](C(=O)[C@](C(=O)O1)(C)F)C)O[C@@H]3[C@@H]([C@H](C[C@H](O3)C)N(C)C)O)(OC/C(=N/OCC4=CN=C(C=C4)N5C=CC=N5)/CO2)C)C)O)C)(C)O

InChI

InChI=1S/C41H62FN5O11/c1-11-30-41(8,52)36-25(4)32(48)23(2)18-39(6,54-22-28(21-53-36)45-55-20-27-13-14-31(43-19-27)47-16-12-15-44-47)35(26(5)34(50)40(7,42)38(51)57-30)58-37-33(49)29(46(9)10)17-24(3)56-37/h12-16,19,23-26,29-30,32-33,35-37,48-49,52H,11,17-18,20-22H2,1-10H3/b45-28+/t23-,24-,25+,26+,29+,30-,32+,33-,35-,36?,37-,39-,40+,41-/m1/s1