(1S,2R,3R,6R,8R,9R,10R,16S,19R)-9-[(2S,3R,4S,6R)-4-(dimethylamino)-6-methyl-3-oxidanyl-oxan-2-yl]oxy-3-ethyl-2,6,8,10,16,19-hexamethyl-13-methylidene-2-oxidanyl-18-(quinolin-3-ylmethyl)-4,11,15-trioxa-18-azabicyclo[8.5.5]icosane-5,7-dione

Systemtic Name: (1S,2R,3R,6R,8R,9R,10R,16S,19R)-9-[(2S,3R,4S,6R)-4-(dimethylamino)-6-methyl-3-oxidanyl-oxan-2-yl]oxy-3-ethyl-2,6,8,10,16,19-hexamethyl-13-methylidene-2-oxidanyl-18-(quinolin-3-ylmethyl)-4,11,15-trioxa-18-azabicyclo[8.5.5]icosane-5,7-dione Openeye Name: (1S,2R,3R,6R,8R,9R,10R,16S,19R)-9-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyl-tetrahydropyran-2-yl]oxy-3-ethyl-2-hydroxy-2,6,8,10,16,19-hexamethyl-13-methylene-18-(3-quinolylmethyl)-4,11,15-trioxa-18-azabicyclo[8.5.5]icosane-5,7-dione CAS Name: (1S,2R,3R,6R,8R,9R,10R,16S,19R)-9-[[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyl-2-oxanyl]oxy]-3-ethyl-2-hydroxy-2,6,8,10,16,19-hexamethyl-13-methylene-18-(3-quinolinylmethyl)-4,11,15-trioxa-18-azabicyclo[8.5.5]eicosane-5,7-dione IUPAC Name: (1S,2R,3R,6R,8R,9R,10R,16S,19R)-9-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-3-ethyl-2-hydroxy-2,6,8,10,16,19-hexamethyl-13-methylidene-18-(quinolin-3-ylmethyl)-4,11,15-trioxa-18-azabicyclo[8.5.5]icosane-5,7-dione Traditional Name: (1S,2R,3R,6R,8R,9R,10R,16S,19R)-9-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyl-tetrahydropyran-2-yl]oxy-3-ethyl-2-hydroxy-2,6,8,10,16,19-hexamethyl-13-methylene-18-(3-quinolylmethyl)-4,11,15-trioxa-18-azabicyclo[8.5.5]eicosane-5,7-quinone Formula: C43H65N3O9 MolecularWeight: 767.9909

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1C(C2C(CN(C(CC(C(C(C(=O)C(C(=O)O1)C)C)OC3C(C(CC(O3)C)N(C)C)O)(OCC(=C)CO2)C)C)CC4=CC5=CC=CC=C5N=C4)C)(C)O

Isomeric SMILES

CC[C@@H]1[C@@]([C@@H]2[C@H](CN([C@@H](C[C@]([C@@H]([C@H](C(=O)[C@H](C(=O)O1)C)C)O[C@H]3[C@@H]([C@H](C[C@H](O3)C)N(C)C)O)(OCC(=C)CO2)C)C)CC4=CC5=CC=CC=C5N=C4)C)(C)O

InChI

InChI=1S/C43H65N3O9/c1-12-35-43(9,50)38-26(3)21-46(22-31-18-32-15-13-14-16-33(32)44-20-31)27(4)19-42(8,52-24-25(2)23-51-38)39(29(6)36(47)30(7)40(49)54-35)55-41-37(48)34(45(10)11)17-28(5)53-41/h13-16,18,20,26-30,34-35,37-39,41,48,50H,2,12,17,19,21-24H2,1,3-11H3/t26-,27+,28+,29-,30+,34-,35+,37+,38-,39+,41-,42+,43+/m0/s1