2-[(4R,5S,6S,7R,9R,10Z,11E,13E,16R)-6-[(2R,3S,4R,5R,6S)-4-(dimethylamino)-6-methyl-3,5-bis(oxidanyl)oxan-2-yl]oxy-5-methoxy-9,16-dimethyl-4-oxidanyl-2-oxidanylidene-10-(3-quinolin-6-yloxypropoxyimino)-1-oxacyclohexadeca-11,13-dien-7-yl]ethanal

Systemtic Name: 2-[(4R,5S,6S,7R,9R,10Z,11E,13E,16R)-6-[(2R,3S,4R,5R,6S)-4-(dimethylamino)-6-methyl-3,5-bis(oxidanyl)oxan-2-yl]oxy-5-methoxy-9,16-dimethyl-4-oxidanyl-2-oxidanylidene-10-(3-quinolin-6-yloxypropoxyimino)-1-oxacyclohexadeca-11,13-dien-7-yl]ethanal Openeye Name: 2-[(4R,5S,6S,7R,9R,10Z,11E,13E,16R)-6-[(2R,3S,4R,5R,6S)-4-(dimethylamino)-3,5-dihydroxy-6-methyl-tetrahydropyran-2-yl]oxy-4-hydroxy-5-methoxy-9,16-dimethyl-2-oxo-10-[3-(6-quinolyloxy)propoxyimino]-1-oxacyclohexadeca-11,13-dien-7-yl]acetaldehyde CAS Name: 2-[(4R,5S,6S,7R,9R,10Z,11E,13E,16R)-6-[[(2R,3S,4R,5R,6S)-4-(dimethylamino)-3,5-dihydroxy-6-methyl-2-oxanyl]oxy]-4-hydroxy-5-methoxy-9,16-dimethyl-2-oxo-10-[3-(6-quinolinyloxy)propoxyimino]-1-oxacyclohexadeca-11,13-dien-7-yl]acetaldehyde IUPAC Name: 2-[(4R,5S,6S,7R,9R,10Z,11E,13E,16R)-6-[(2R,3S,4R,5R,6S)-4-(dimethylamino)-3,5-dihydroxy-6-methyloxan-2-yl]oxy-4-hydroxy-5-methoxy-9,16-dimethyl-2-oxo-10-(3-quinolin-6-yloxypropoxyimino)-1-oxacyclohexadeca-11,13-dien-7-yl]acetaldehyde Traditional Name: 2-[(4R,5S,6S,7R,9R,10Z,11E,13E,16R)-6-[(2R,3S,4R,5R,6S)-4-(dimethylamino)-3,5-dihydroxy-6-methyl-tetrahydropyran-2-yl]oxy-4-hydroxy-2-keto-5-methoxy-9,16-dimethyl-10-[3-(6-quinolyloxy)propyloximino]-1-oxacyclohexadeca-11,13-dien-7-yl]acetaldehyde Formula: C40H57N3O11 MolecularWeight: 755.89408

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC=CC=CC(=NOCCCOC2=CC3=C(C=C2)N=CC=C3)C(CC(C(C(C(CC(=O)O1)O)OC)OC4C(C(C(C(O4)C)O)N(C)C)O)CC=O)C

Isomeric SMILES

C[C@@H]1C/C=C/C=C/C(=N\OCCCOC2=CC3=C(C=C2)N=CC=C3)/[C@@H](C[C@@H]([C@@H]([C@H]([C@@H](CC(=O)O1)O)OC)O[C@@H]4[C@H]([C@@H]([C@H]([C@@H](O4)C)O)N(C)C)O)CC=O)C

InChI

InChI=1S/C40H57N3O11/c1-25-22-29(17-19-44)38(54-40-37(48)35(43(4)5)36(47)27(3)53-40)39(49-6)33(45)24-34(46)52-26(2)12-8-7-9-14-31(25)42-51-21-11-20-50-30-15-16-32-28(23-30)13-10-18-41-32/h7-10,13-16,18-19,23,25-27,29,33,35-40,45,47-48H,11-12,17,20-22,24H2,1-6H3/b8-7+,14-9+,42-31+/t25-,26-,27+,29+,33-,35-,36+,37+,38+,39+,40-/m1/s1