(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-9-(1-ethoxycyclohexyl)oxyimino-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)-5-[(2S,3R,4S,6R)-4-(dimethylamino)-6-methyl-3-oxidanyl-oxan-2-yl]oxy-9-(1-ethoxycyclohexyl)oxyimino-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)-5-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyl-tetrahydropyran-2-yl]oxy-9-(1-ethoxycyclohexoxy)imino-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)-5-[[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyl-2-oxanyl]oxy]-9-(1-ethoxycyclohexyl)oxyimino-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)-5-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-9-(1-ethoxycyclohexyl)oxyimino-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)-5-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyl-tetrahydropyran-2-yl]oxy-9-(1-ethoxycyclohexyl)oximino-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: C47H86N2O13 MolecularWeight: 887.19134

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Descriptors Computed from Structure

Canonical SMILES:

CCC1CC(=O)C(C(C(C(C(CC(C(=NOC2(CCCCC2)OCC)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\OC2(CCCCC2)OCC)/[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/C47H86N2O13/c1-16-33-24-35(50)29(5)39(60-36-26-44(9,55-14)41(53)32(8)59-36)31(7)42(61-43-38(51)34(49(12)13)23-28(4)58-43)45(10,56-15)25-27(3)37(30(6)40(52)46(33,11)54)48-62-47(57-17-2)21-19-18-20-22-47/h27-34,36,38-43,51-54H,16-26H2,1-15H3/b48-37+/t27-,28-,29+,30+,31+,32+,33+,34+,36+,38-,39-,40-,41+,42-,43+,44-,45-,46-/m1/s1