(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-[(2,4-dinitrophenyl)methoxyimino]-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-[(2,4-dinitrophenyl)methoxyimino]-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-[(2,4-dinitrophenyl)methoxyimino]-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-[(2,4-dinitrophenyl)methoxyimino]-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-[(2,4-dinitrophenyl)methoxyimino]-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-(2,4-dinitrobenzyl)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: C46H76N4O16 MolecularWeight: 941.11284

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1CC(=O)C(C(C(C(C(CC(C(=NOCC2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-])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=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-])/[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/C46H76N4O16/c1-15-31-19-35(51)26(4)39(65-36-22-44(8,60-13)41(54)29(7)64-36)28(6)42(66-43-38(52)34(48(11)12)18-25(3)63-43)45(9,61-14)21-24(2)37(27(5)40(53)46(31,10)55)47-62-23-30-16-17-32(49(56)57)20-33(30)50(58)59/h16-17,20,24-29,31,34,36,38-43,52-55H,15,18-19,21-23H2,1-14H3/b47-37+/t24-,25-,26+,27+,28+,29+,31+,34+,36+,38-,39-,40-,41+,42-,43+,44-,45-,46-/m1/s1