(2R,3S,4S,5R,6S,8R,9E,10R,11R,12R,13R)-5-[(2S,3R,4S,6R)-4-(dimethylamino)-6-methyl-3-oxidanyl-oxan-2-yl]oxy-13-ethyl-6-methoxy-3-[(1R,3R,4S,5R)-3-methoxy-3,5-dimethyl-4-oxidanyl-cyclohexyl]oxy-2,4,6,8,10,12-hexamethyl-9-(2-methylpropoxyimino)-11,12-bis(oxidanyl)cyclotetradecan-1-one

Systemtic Name: (2R,3S,4S,5R,6S,8R,9E,10R,11R,12R,13R)-5-[(2S,3R,4S,6R)-4-(dimethylamino)-6-methyl-3-oxidanyl-oxan-2-yl]oxy-13-ethyl-6-methoxy-3-[(1R,3R,4S,5R)-3-methoxy-3,5-dimethyl-4-oxidanyl-cyclohexyl]oxy-2,4,6,8,10,12-hexamethyl-9-(2-methylpropoxyimino)-11,12-bis(oxidanyl)cyclotetradecan-1-one Openeye Name: (2R,3S,4S,5R,6S,8R,9E,10R,11R,12R,13R)-5-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyl-tetrahydropyran-2-yl]oxy-13-ethyl-11,12-dihydroxy-3-[(1R,3R,4S,5R)-4-hydroxy-3-methoxy-3,5-dimethyl-cyclohexoxy]-9-isobutoxyimino-6-methoxy-2,4,6,8,10,12-hexamethyl-cyclotetradecanone CAS Name: (2R,3S,4S,5R,6S,8R,9E,10R,11R,12R,13R)-5-[[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyl-2-oxanyl]oxy]-13-ethyl-11,12-dihydroxy-3-[(1R,3R,4S,5R)-4-hydroxy-3-methoxy-3,5-dimethylcyclohexyl]oxy-6-methoxy-2,4,6,8,10,12-hexamethyl-9-(2-methylpropoxyimino)-1-cyclotetradecanone IUPAC Name: (2R,3S,4S,5R,6S,8R,9E,10R,11R,12R,13R)-5-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-13-ethyl-11,12-dihydroxy-3-[(1R,3R,4S,5R)-4-hydroxy-3-methoxy-3,5-dimethylcyclohexyl]oxy-6-methoxy-2,4,6,8,10,12-hexamethyl-9-(2-methylpropoxyimino)cyclotetradecan-1-one Traditional Name: (2R,3S,4S,5R,6S,8R,9E,10R,11R,12R,13R)-5-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyl-tetrahydropyran-2-yl]oxy-13-ethyl-11,12-dihydroxy-3-[(1R,3R,4S,5R)-4-hydroxy-3-methoxy-3,5-dimethyl-cyclohexoxy]-9-isobutyloximino-6-methoxy-2,4,6,8,10,12-hexamethyl-cyclotetradecanone Formula: C44H82N2O11 MolecularWeight: 815.12868

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1CC(=O)C(C(C(C(C(CC(C(=NOCC(C)C)C(C(C1(C)O)O)C)C)(C)OC)OC2C(C(CC(O2)C)N(C)C)O)C)OC3CC(C(C(C3)(C)OC)O)C)C

Isomeric SMILES

CC[C@@H]1CC(=O)[C@@H]([C@H]([C@@H]([C@H]([C@@](C[C@H](/C(=N\OCC(C)C)/[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@H]([C@@H]([C@](C3)(C)OC)O)C)C

InChI

InChI=1S/C44H82N2O11/c1-17-31-20-34(47)28(7)37(56-32-18-25(4)38(49)42(10,22-32)52-15)30(9)40(57-41-36(48)33(46(13)14)19-27(6)55-41)43(11,53-16)21-26(5)35(45-54-23-24(2)3)29(8)39(50)44(31,12)51/h24-33,36-41,48-51H,17-23H2,1-16H3/b45-35+/t25-,26-,27-,28+,29-,30+,31-,32-,33+,36-,37-,38+,39-,40-,41+,42-,43+,44-/m1/s1