(2R,3S,4S,5R,6R,8R,9E,10S,11R,12R,13S)-9-[[3,4-bis(fluoranyl)phenyl]methoxyimino]-5-[(2S,3R,4S,6R)-4-(dimethylamino)-6-methyl-3-oxidanyl-oxan-2-yl]oxy-13-ethyl-6-methoxy-3-[(2R,4R,5S,6S)-4-methoxy-4,6-dimethyl-5-oxidanyl-oxan-2-yl]oxy-2,4,6,8,10,12-hexamethyl-11,12-bis(oxidanyl)cyclotetradecan-1-one

Systemtic Name: (2R,3S,4S,5R,6R,8R,9E,10S,11R,12R,13S)-9-[[3,4-bis(fluoranyl)phenyl]methoxyimino]-5-[(2S,3R,4S,6R)-4-(dimethylamino)-6-methyl-3-oxidanyl-oxan-2-yl]oxy-13-ethyl-6-methoxy-3-[(2R,4R,5S,6S)-4-methoxy-4,6-dimethyl-5-oxidanyl-oxan-2-yl]oxy-2,4,6,8,10,12-hexamethyl-11,12-bis(oxidanyl)cyclotetradecan-1-one Openeye Name: (2R,3S,4S,5R,6R,8R,9E,10S,11R,12R,13S)-9-[(3,4-difluorophenyl)methoxyimino]-5-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyl-tetrahydropyran-2-yl]oxy-13-ethyl-11,12-dihydroxy-3-[(2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyl-tetrahydropyran-2-yl]oxy-6-methoxy-2,4,6,8,10,12-hexamethyl-cyclotetradecanone CAS Name: (2R,3S,4S,5R,6R,8R,9E,10S,11R,12R,13S)-9-[(3,4-difluorophenyl)methoxyimino]-5-[[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyl-2-oxanyl]oxy]-13-ethyl-11,12-dihydroxy-3-[[(2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyl-2-oxanyl]oxy]-6-methoxy-2,4,6,8,10,12-hexamethyl-1-cyclotetradecanone IUPAC Name: (2R,3S,4S,5R,6R,8R,9E,10S,11R,12R,13S)-9-[(3,4-difluorophenyl)methoxyimino]-5-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-13-ethyl-11,12-dihydroxy-3-[(2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl]oxy-6-methoxy-2,4,6,8,10,12-hexamethylcyclotetradecan-1-one Traditional Name: (2R,3S,4S,5R,6R,8R,9E,10S,11R,12R,13S)-9-(3,4-difluorobenzyl)oximino-5-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyl-tetrahydropyran-2-yl]oxy-13-ethyl-11,12-dihydroxy-3-[(2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyl-tetrahydropyran-2-yl]oxy-6-methoxy-2,4,6,8,10,12-hexamethyl-cyclotetradecanone Formula: C46H76F2N2O12 MolecularWeight: 887.098646

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Descriptors Computed from Structure

Canonical SMILES:

CCC1CC(=O)C(C(C(C(C(CC(C(=NOCC2=CC(=C(C=C2)F)F)C(C(C1(C)O)O)C)C)(C)OC)OC3C(C(CC(O3)C)N(C)C)O)C)OC4CC(C(C(O4)C)O)(C)OC)C

Isomeric SMILES

CC[C@H]1CC(=O)[C@@H]([C@H]([C@@H]([C@H]([C@](C[C@H](/C(=N\OCC2=CC(=C(C=C2)F)F)/[C@@H]([C@H]([C@]1(C)O)O)C)C)(C)OC)O[C@H]3[C@@H]([C@H](C[C@H](O3)C)N(C)C)O)C)O[C@H]4C[C@@]([C@H]([C@@H](O4)C)O)(C)OC)C

InChI

InChI=1S/C46H76F2N2O12/c1-15-31-20-35(51)26(4)39(61-36-22-44(8,56-13)41(54)29(7)60-36)28(6)42(62-43-38(52)34(50(11)12)18-25(3)59-43)45(9,57-14)21-24(2)37(27(5)40(53)46(31,10)55)49-58-23-30-16-17-32(47)33(48)19-30/h16-17,19,24-29,31,34,36,38-43,52-55H,15,18,20-23H2,1-14H3/b49-37+/t24-,25-,26+,27+,28+,29+,31+,34+,36+,38-,39-,40-,41+,42-,43+,44-,45-,46-/m1/s1