(1R,2S,4R,6S,7R,8R,13S,14S)-7-[(2S,3R,4S,6R)-4-(dimethylamino)-6-methyl-3-oxidanyl-oxan-2-yl]oxy-13-ethyl-6-methoxy-2,4,6,8,14-pentamethyl-10-(3-quinolin-3-ylprop-2-ynyl)-12,15-dioxa-17-azabicyclo[12.3.0]heptadecane-3,9,11,16-tetrone

Systemtic Name: (1R,2S,4R,6S,7R,8R,13S,14S)-7-[(2S,3R,4S,6R)-4-(dimethylamino)-6-methyl-3-oxidanyl-oxan-2-yl]oxy-13-ethyl-6-methoxy-2,4,6,8,14-pentamethyl-10-(3-quinolin-3-ylprop-2-ynyl)-12,15-dioxa-17-azabicyclo[12.3.0]heptadecane-3,9,11,16-tetrone Openeye Name: (1R,2S,4R,6S,7R,8R,13S,14S)-7-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyl-tetrahydropyran-2-yl]oxy-13-ethyl-6-methoxy-2,4,6,8,14-pentamethyl-10-[3-(3-quinolyl)prop-2-ynyl]-12,15-dioxa-17-azabicyclo[12.3.0]heptadecane-3,9,11,16-tetrone CAS Name: (1R,2S,4R,6S,7R,8R,13S,14S)-7-[[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyl-2-oxanyl]oxy]-13-ethyl-6-methoxy-2,4,6,8,14-pentamethyl-10-[3-(3-quinolinyl)prop-2-ynyl]-12,15-dioxa-17-azabicyclo[12.3.0]heptadecane-3,9,11,16-tetrone IUPAC Name: (1R,2S,4R,6S,7R,8R,13S,14S)-7-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-13-ethyl-6-methoxy-2,4,6,8,14-pentamethyl-10-(3-quinolin-3-ylprop-2-ynyl)-12,15-dioxa-17-azabicyclo[12.3.0]heptadecane-3,9,11,16-tetrone Traditional Name: (1R,2S,4R,6S,7R,8R,13S,14S)-7-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyl-tetrahydropyran-2-yl]oxy-13-ethyl-6-methoxy-2,4,6,8,14-pentamethyl-10-[3-(3-quinolyl)prop-2-ynyl]-12,15-dioxa-17-azabicyclo[12.3.0]heptadecane-3,9,11,16-diquinone Formula: C42H57N3O10 MolecularWeight: 763.91608

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1C2(C(C(C(=O)C(CC(C(C(C(=O)C(C(=O)O1)CC#CC3=CC4=CC=CC=C4N=C3)C)OC5C(C(CC(O5)C)N(C)C)O)(C)OC)C)C)NC(=O)O2)C

Isomeric SMILES

CC[C@H]1[C@@]2([C@@H]([C@@H](C(=O)[C@@H](C[C@]([C@@H]([C@H](C(=O)C(C(=O)O1)CC#CC3=CC4=CC=CC=C4N=C3)C)O[C@H]5[C@@H]([C@H](C[C@H](O5)C)N(C)C)O)(C)OC)C)C)NC(=O)O2)C

InChI

InChI=1S/C42H57N3O10/c1-11-32-42(7)36(44-40(50)55-42)25(4)33(46)23(2)21-41(6,51-10)37(54-39-35(48)31(45(8)9)19-24(3)52-39)26(5)34(47)29(38(49)53-32)17-14-15-27-20-28-16-12-13-18-30(28)43-22-27/h12-13,16,18,20,22-26,29,31-32,35-37,39,48H,11,17,19,21H2,1-10H3,(H,44,50)/t23-,24-,25-,26+,29?,31+,32+,35-,36-,37-,39+,41+,42-/m1/s1