(2R,3S,4S,5R,6R,8R,9E,10S,11R,12R,13S)-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)-9-(quinolin-2-ylmethoxyimino)cyclotetradecan-1-one

Systemtic Name: (2R,3S,4S,5R,6R,8R,9E,10S,11R,12R,13S)-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)-9-(quinolin-2-ylmethoxyimino)cyclotetradecan-1-one Openeye Name: (2R,3S,4S,5R,6R,8R,9E,10S,11R,12R,13S)-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-9-(2-quinolylmethoxyimino)cyclotetradecanone CAS Name: (2R,3S,4S,5R,6R,8R,9E,10S,11R,12R,13S)-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-9-(2-quinolinylmethoxyimino)-1-cyclotetradecanone IUPAC Name: (2R,3S,4S,5R,6R,8R,9E,10S,11R,12R,13S)-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-hexamethyl-9-(quinolin-2-ylmethoxyimino)cyclotetradecan-1-one Traditional Name: (2R,3S,4S,5R,6R,8R,9E,10S,11R,12R,13S)-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-9-(2-quinolylmethyloximino)cyclotetradecanone Formula: C49H79N3O12 MolecularWeight: 902.16446

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Descriptors Computed from Structure

Canonical SMILES:

CCC1CC(=O)C(C(C(C(C(CC(C(=NOCC2=NC3=CC=CC=C3C=C2)C(C(C1(C)O)O)C)C)(C)OC)OC4C(C(CC(O4)C)N(C)C)O)C)OC5CC(C(C(O5)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=NC3=CC=CC=C3C=C2)/[C@@H]([C@H]([C@]1(C)O)O)C)C)(C)OC)O[C@H]4[C@@H]([C@H](C[C@H](O4)C)N(C)C)O)C)O[C@H]5C[C@@]([C@H]([C@@H](O5)C)O)(C)OC)C

InChI

InChI=1S/C49H79N3O12/c1-15-34-23-38(53)29(4)42(63-39-25-47(8,58-13)44(56)32(7)62-39)31(6)45(64-46-41(54)37(52(11)12)22-28(3)61-46)48(9,59-14)24-27(2)40(30(5)43(55)49(34,10)57)51-60-26-35-21-20-33-18-16-17-19-36(33)50-35/h16-21,27-32,34,37,39,41-46,54-57H,15,22-26H2,1-14H3/b51-40+/t27-,28-,29+,30+,31+,32+,34+,37+,39+,41-,42-,43-,44+,45-,46+,47-,48-,49-/m1/s1