N-[(1S,2R,3R,6R,8R,9R,10R,13E,16S,18R)-9-[(2S,3R,4S,6R)-4-(dimethylamino)-6-methyl-3-oxidanyl-oxan-2-yl]oxy-3-ethyl-2,6,8,10,16,18-hexamethyl-2-oxidanyl-5,7-bis(oxidanylidene)-13-phenethyloxyimino-4,11,15-trioxabicyclo[8.5.4]nonadecan-17-ylidene]ethanamide

Systemtic Name: N-[(1S,2R,3R,6R,8R,9R,10R,13E,16S,18R)-9-[(2S,3R,4S,6R)-4-(dimethylamino)-6-methyl-3-oxidanyl-oxan-2-yl]oxy-3-ethyl-2,6,8,10,16,18-hexamethyl-2-oxidanyl-5,7-bis(oxidanylidene)-13-phenethyloxyimino-4,11,15-trioxabicyclo[8.5.4]nonadecan-17-ylidene]ethanamide Openeye Name: N-[(1S,2R,3R,6R,8R,9R,10R,13E,16S,18R)-9-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyl-tetrahydropyran-2-yl]oxy-3-ethyl-2-hydroxy-2,6,8,10,16,18-hexamethyl-5,7-dioxo-13-phenethyloxyimino-4,11,15-trioxabicyclo[8.5.4]nonadecan-17-ylidene]acetamide CAS Name: N-[(1S,2R,3R,6R,8R,9R,10R,13E,16S,18R)-9-[[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyl-2-oxanyl]oxy]-3-ethyl-2-hydroxy-2,6,8,10,16,18-hexamethyl-5,7-dioxo-13-phenethyloxyimino-4,11,15-trioxabicyclo[8.5.4]nonadecan-17-ylidene]acetamide IUPAC Name: N-[(1S,2R,3R,6R,8R,9R,10R,13E,16S,18R)-9-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-3-ethyl-2-hydroxy-2,6,8,10,16,18-hexamethyl-5,7-dioxo-13-phenethyloxyimino-4,11,15-trioxabicyclo[8.5.4]nonadecan-17-ylidene]acetamide Traditional Name: N-[(1S,2R,3R,6R,8R,9R,10R,13E,16S,18R)-9-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyl-tetrahydropyran-2-yl]oxy-3-ethyl-2-hydroxy-5,7-diketo-2,6,8,10,16,18-hexamethyl-13-phenethyloximino-4,11,15-trioxabicyclo[8.5.4]nonadecan-17-ylidene]acetamide Formula: C42H65N3O11 MolecularWeight: 787.979

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Descriptors Computed from Structure

Canonical SMILES:

CCC1C(C2C(C(=NC(=O)C)C(CC(C(C(C(=O)C(C(=O)O1)C)C)OC3C(C(CC(O3)C)N(C)C)O)(OCC(=NOCCC4=CC=CC=C4)CO2)C)C)C)(C)O

Isomeric SMILES

CC[C@@H]1[C@@]([C@@H]2[C@H](C(=NC(=O)C)[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)(OC/C(=N/OCCC4=CC=CC=C4)/CO2)C)C)C)(C)O

InChI

InChI=1S/C42H65N3O11/c1-12-33-42(9,50)38-26(4)34(43-29(7)46)24(2)21-41(8,52-23-31(22-51-38)44-53-19-18-30-16-14-13-15-17-30)37(27(5)35(47)28(6)39(49)55-33)56-40-36(48)32(45(10)11)20-25(3)54-40/h13-17,24-28,32-33,36-38,40,48,50H,12,18-23H2,1-11H3/b43-34?,44-31+/t24-,25-,26+,27+,28-,32+,33-,36-,37-,38+,40+,41-,42-/m1/s1