(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-10-fluoranyl-6-methoxy-2,4,6,8,14-pentamethyl-10-[(E)-3-quinolin-3-ylprop-2-enyl]-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-10-fluoranyl-6-methoxy-2,4,6,8,14-pentamethyl-10-[(E)-3-quinolin-3-ylprop-2-enyl]-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-10-fluoro-6-methoxy-2,4,6,8,14-pentamethyl-10-[(E)-3-(3-quinolyl)allyl]-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-10-fluoro-6-methoxy-2,4,6,8,14-pentamethyl-10-[(E)-3-(3-quinolinyl)prop-2-enyl]-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-10-fluoro-6-methoxy-2,4,6,8,14-pentamethyl-10-[(E)-3-quinolin-3-ylprop-2-enyl]-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-10-fluoro-6-methoxy-2,4,6,8,14-pentamethyl-10-[(E)-3-(3-quinolyl)allyl]-12,15-dioxa-17-azabicyclo[12.3.0]heptadecane-3,9,11,16-diquinone Formula: C42H58FN3O10 MolecularWeight: 783.922423

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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)F)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)(C/C=C/C3=CC4=CC=CC=C4N=C3)F)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/C42H58FN3O10/c1-11-31-41(7)34(45-39(51)56-41)25(4)32(47)23(2)21-40(6,52-10)36(55-37-33(48)30(46(8)9)19-24(3)53-37)26(5)35(49)42(43,38(50)54-31)18-14-15-27-20-28-16-12-13-17-29(28)44-22-27/h12-17,20,22-26,30-31,33-34,36-37,48H,11,18-19,21H2,1-10H3,(H,45,51)/b15-14+/t23-,24-,25-,26+,30+,31+,33-,34-,36-,37+,40+,41-,42?/m1/s1