[(1R,2S,3E,4R,6S,7R,8S,9S,10R,13R,14R)-7-[(2S,3R,4S,6R)-3-acetyloxy-4-(dimethylamino)-6-methyl-oxan-2-yl]oxy-3-acetyloxyimino-13-ethyl-6-methoxy-2,4,6,8,10,14-hexamethyl-11,16-bis(oxidanylidene)-12,15,17-trioxabicyclo[12.3.0]heptadecan-9-yl] 2-pyridin-3-ylethanoate

Systemtic Name: [(1R,2S,3E,4R,6S,7R,8S,9S,10R,13R,14R)-7-[(2S,3R,4S,6R)-3-acetyloxy-4-(dimethylamino)-6-methyl-oxan-2-yl]oxy-3-acetyloxyimino-13-ethyl-6-methoxy-2,4,6,8,10,14-hexamethyl-11,16-bis(oxidanylidene)-12,15,17-trioxabicyclo[12.3.0]heptadecan-9-yl] 2-pyridin-3-ylethanoate Openeye Name: [(1R,2S,3E,4R,6S,7R,8S,9S,10R,13R,14R)-7-[(2S,3R,4S,6R)-3-acetoxy-4-(dimethylamino)-6-methyl-tetrahydropyran-2-yl]oxy-3-acetoxyimino-13-ethyl-6-methoxy-2,4,6,8,10,14-hexamethyl-11,16-dioxo-12,15,17-trioxabicyclo[12.3.0]heptadecan-9-yl] 2-(3-pyridyl)acetate CAS Name: 2-(3-pyridinyl)acetic acid [(1R,2S,3E,4R,6S,7R,8S,9S,10R,13R,14R)-7-[[(2S,3R,4S,6R)-3-acetyloxy-4-(dimethylamino)-6-methyl-2-oxanyl]oxy]-3-acetyloxyimino-13-ethyl-6-methoxy-2,4,6,8,10,14-hexamethyl-11,16-dioxo-12,15,17-trioxabicyclo[12.3.0]heptadecan-9-yl] ester IUPAC Name: [(1R,2S,3E,4R,6S,7R,8S,9S,10R,13R,14R)-7-[(2S,3R,4S,6R)-3-acetyloxy-4-(dimethylamino)-6-methyloxan-2-yl]oxy-3-acetyloxyimino-13-ethyl-6-methoxy-2,4,6,8,10,14-hexamethyl-11,16-dioxo-12,15,17-trioxabicyclo[12.3.0]heptadecan-9-yl] 2-pyridin-3-ylacetate Traditional Name: 2-(3-pyridyl)acetic acid [(1R,2S,3E,4R,6S,7R,8S,9S,10R,13R,14R)-7-[(2S,3R,4S,6R)-3-acetoxy-4-(dimethylamino)-6-methyl-tetrahydropyran-2-yl]oxy-3-acetyloximino-13-ethyl-11,16-diketo-6-methoxy-2,4,6,8,10,14-hexamethyl-12,15,17-trioxabicyclo[12.3.0]heptadecan-9-yl] ester Formula: C42H63N3O14 MolecularWeight: 833.96132

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1C2(C(C(C(=NOC(=O)C)C(CC(C(C(C(C(C(=O)O1)C)OC(=O)CC3=CN=CC=C3)C)OC4C(C(CC(O4)C)N(C)C)OC(=O)C)(C)OC)C)C)OC(=O)O2)C

Isomeric SMILES

CC[C@@H]1[C@@]2([C@@H]([C@H](/C(=N/OC(=O)C)/[C@@H](C[C@]([C@@H]([C@H]([C@@H]([C@H](C(=O)O1)C)OC(=O)CC3=CN=CC=C3)C)O[C@H]4[C@@H]([C@H](C[C@H](O4)C)N(C)C)OC(=O)C)(C)OC)C)C)OC(=O)O2)C

InChI

InChI=1S/C42H63N3O14/c1-14-31-42(10)37(57-40(50)58-42)24(4)33(44-59-28(8)47)22(2)20-41(9,51-13)36(56-39-35(53-27(7)46)30(45(11)12)18-23(3)52-39)25(5)34(26(6)38(49)54-31)55-32(48)19-29-16-15-17-43-21-29/h15-17,21-26,30-31,34-37,39H,14,18-20H2,1-13H3/b44-33+/t22-,23-,24+,25+,26-,30+,31-,34+,35-,36-,37-,39+,41+,42-/m1/s1