(2R,3S,4S,5R,6R,8R,9E,10S,11R,12R,13S)-9-(anthracen-9-ylmethoxyimino)-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-(anthracen-9-ylmethoxyimino)-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-(9-anthrylmethoxyimino)-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-(9-anthracenylmethoxyimino)-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-(anthracen-9-ylmethoxyimino)-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-(9-anthrylmethyloximino)-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: C54H82N2O12 MolecularWeight: 951.23508

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Descriptors Computed from Structure

Canonical SMILES:

CCC1CC(=O)C(C(C(C(C(CC(C(=NOCC2=C3C=CC=CC3=CC4=CC=CC=C42)C(C(C1(C)O)O)C)C)(C)OC)OC5C(C(CC(O5)C)N(C)C)O)C)OC6CC(C(C(O6)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=C3C=CC=CC3=CC4=CC=CC=C42)/[C@@H]([C@H]([C@]1(C)O)O)C)C)(C)OC)O[C@H]5[C@@H]([C@H](C[C@H](O5)C)N(C)C)O)C)O[C@H]6C[C@@]([C@H]([C@@H](O6)C)O)(C)OC)C

InChI

InChI=1S/C54H82N2O12/c1-15-38-26-43(57)32(4)47(67-44-28-52(8,62-13)49(60)35(7)66-44)34(6)50(68-51-46(58)42(56(11)12)24-31(3)65-51)53(9,63-14)27-30(2)45(33(5)48(59)54(38,10)61)55-64-29-41-39-22-18-16-20-36(39)25-37-21-17-19-23-40(37)41/h16-23,25,30-35,38,42,44,46-51,58-61H,15,24,26-29H2,1-14H3/b55-45+/t30-,31-,32+,33+,34+,35+,38+,42+,44+,46-,47-,48-,49+,50-,51+,52-,53-,54-/m1/s1