(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-(6-oxidanylhexoxyimino)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-(6-oxidanylhexoxyimino)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-9-(6-hydroxyhexoxyimino)-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)-5-[[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyl-2-oxanyl]oxy]-13-ethyl-11,12-dihydroxy-9-(6-hydroxyhexoxyimino)-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)-5-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-13-ethyl-11,12-dihydroxy-9-(6-hydroxyhexoxyimino)-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)-5-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyl-tetrahydropyran-2-yl]oxy-13-ethyl-11,12-dihydroxy-9-(6-hydroxyhexyloximino)-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: C45H84N2O13 MolecularWeight: 861.15406

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Descriptors Computed from Structure

Canonical SMILES:

CCC1CC(=O)C(C(C(C(C(CC(C(=NOCCCCCCO)C(C(C1(C)O)O)C)C)(C)OC)OC2C(C(CC(O2)C)N(C)C)O)C)OC3CC(C(C(O3)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\OCCCCCCO)/[C@@H]([C@H]([C@]1(C)O)O)C)C)(C)OC)O[C@H]2[C@@H]([C@H](C[C@H](O2)C)N(C)C)O)C)O[C@H]3C[C@@]([C@H]([C@@H](O3)C)O)(C)OC)C

InChI

InChI=1S/C45H84N2O13/c1-15-32-23-34(49)28(4)38(59-35-25-43(8,54-13)40(52)31(7)58-35)30(6)41(60-42-37(50)33(47(11)12)22-27(3)57-42)44(9,55-14)24-26(2)36(29(5)39(51)45(32,10)53)46-56-21-19-17-16-18-20-48/h26-33,35,37-42,48,50-53H,15-25H2,1-14H3/b46-36+/t26-,27-,28+,29+,30+,31+,32+,33+,35+,37-,38-,39-,40+,41-,42+,43-,44-,45-/m1/s1