[(2R,4R,5R,6S,7S,8R,11R,12R,13R,18S)-5-[(2S,3R,4S,6R)-4-(dimethylamino)-6-methyl-3-oxidanyl-oxan-2-yl]oxy-15-ethenyl-11-ethyl-2,4,6,8,12,18-hexamethyl-4,12-bis(oxidanyl)-9-oxidanylidene-10,14-dioxa-1-azabicyclo[11.3.2]octadecan-7-yl] 2-pyridin-2-ylethanoate

Systemtic Name: [(2R,4R,5R,6S,7S,8R,11R,12R,13R,18S)-5-[(2S,3R,4S,6R)-4-(dimethylamino)-6-methyl-3-oxidanyl-oxan-2-yl]oxy-15-ethenyl-11-ethyl-2,4,6,8,12,18-hexamethyl-4,12-bis(oxidanyl)-9-oxidanylidene-10,14-dioxa-1-azabicyclo[11.3.2]octadecan-7-yl] 2-pyridin-2-ylethanoate Openeye Name: [(2R,4R,5R,6S,7S,8R,11R,12R,13R,18S)-5-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyl-tetrahydropyran-2-yl]oxy-11-ethyl-4,12-dihydroxy-2,4,6,8,12,18-hexamethyl-9-oxo-15-vinyl-10,14-dioxa-1-azabicyclo[11.3.2]octadecan-7-yl] 2-(2-pyridyl)acetate CAS Name: 2-(2-pyridinyl)acetic acid [(2R,4R,5R,6S,7S,8R,11R,12R,13R,18S)-5-[[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyl-2-oxanyl]oxy]-15-ethenyl-11-ethyl-4,12-dihydroxy-2,4,6,8,12,18-hexamethyl-9-oxo-10,14-dioxa-1-azabicyclo[11.3.2]octadecan-7-yl] ester IUPAC Name: [(2R,4R,5R,6S,7S,8R,11R,12R,13R,18S)-5-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-15-ethenyl-11-ethyl-4,12-dihydroxy-2,4,6,8,12,18-hexamethyl-9-oxo-10,14-dioxa-1-azabicyclo[11.3.2]octadecan-7-yl] 2-pyridin-2-ylacetate Traditional Name: 2-(2-pyridyl)acetic acid [(2R,4R,5R,6S,7S,8R,11R,12R,13R,18S)-5-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyl-tetrahydropyran-2-yl]oxy-11-ethyl-4,12-dihydroxy-9-keto-2,4,6,8,12,18-hexamethyl-15-vinyl-10,14-dioxa-1-azabicyclo[11.3.2]octadecan-7-yl] ester Formula: C40H65N3O10 MolecularWeight: 747.9582

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Descriptors Computed from Structure

Canonical SMILES:

CCC1C(C2C(CN(CC(O2)C=C)C(CC(C(C(C(C(C(=O)O1)C)OC(=O)CC3=CC=CC=N3)C)OC4C(C(CC(O4)C)N(C)C)O)(C)O)C)C)(C)O

Isomeric SMILES

CC[C@@H]1[C@@]([C@H]2[C@H](CN(CC(O2)C=C)[C@@H](C[C@@]([C@@H]([C@H]([C@@H]([C@H](C(=O)O1)C)OC(=O)CC3=CC=CC=N3)C)O[C@H]4[C@@H]([C@H](C[C@H](O4)C)N(C)C)O)(C)O)C)C)(C)O

InChI

InChI=1S/C40H65N3O10/c1-12-29-22-43-21-23(3)35(50-29)40(9,48)31(13-2)51-37(46)27(7)34(52-32(44)19-28-16-14-15-17-41-28)26(6)36(39(8,47)20-24(43)4)53-38-33(45)30(42(10)11)18-25(5)49-38/h12,14-17,23-27,29-31,33-36,38,45,47-48H,1,13,18-22H2,2-11H3/t23-,24+,25+,26-,27+,29?,30-,31+,33+,34-,35+,36+,38-,39+,40+/m0/s1