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

Systemtic Name: [(4R,5S,6S,7R,9R,10R,11E,13E,16R)-6-[(2S,3R,4R,5S,6R)-5-[(2S,4R,5S,6S)-4,5-diacetyloxy-4,6-dimethyl-oxan-2-yl]oxy-4-(dimethylamino)-6-methyl-3-oxidanyl-oxan-2-yl]oxy-10-[(2R,5S,6S)-5-(dimethylamino)-6-methyl-oxan-2-yl]oxy-5-methoxy-9,16-dimethyl-2-oxidanylidene-7-(2-oxidanylideneethyl)-1-oxacyclohexadeca-11,13-dien-4-yl] ethanoate Openeye Name: [(4R,5S,6S,7R,9R,10R,11E,13E,16R)-6-[(2S,3R,4R,5S,6R)-5-[(2S,4R,5S,6S)-4,5-diacetoxy-4,6-dimethyl-tetrahydropyran-2-yl]oxy-4-(dimethylamino)-3-hydroxy-6-methyl-tetrahydropyran-2-yl]oxy-10-[(2R,5S,6S)-5-(dimethylamino)-6-methyl-tetrahydropyran-2-yl]oxy-5-methoxy-9,16-dimethyl-2-oxo-7-(2-oxoethyl)-1-oxacyclohexadeca-11,13-dien-4-yl] acetate CAS Name: acetic acid [(4R,5S,6S,7R,9R,10R,11E,13E,16R)-6-[[(2S,3R,4R,5S,6R)-5-[[(2S,4R,5S,6S)-4,5-diacetyloxy-4,6-dimethyl-2-oxanyl]oxy]-4-(dimethylamino)-3-hydroxy-6-methyl-2-oxanyl]oxy]-10-[[(2R,5S,6S)-5-(dimethylamino)-6-methyl-2-oxanyl]oxy]-5-methoxy-9,16-dimethyl-2-oxo-7-(2-oxoethyl)-1-oxacyclohexadeca-11,13-dien-4-yl] ester IUPAC Name: [(4R,5S,6S,7R,9R,10R,11E,13E,16R)-6-[(2S,3R,4R,5S,6R)-5-[(2S,4R,5S,6S)-4,5-diacetyloxy-4,6-dimethyloxan-2-yl]oxy-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-10-[(2R,5S,6S)-5-(dimethylamino)-6-methyloxan-2-yl]oxy-5-methoxy-9,16-dimethyl-2-oxo-7-(2-oxoethyl)-1-oxacyclohexadeca-11,13-dien-4-yl] acetate Traditional Name: acetic acid [(4R,5S,6S,7R,9R,10R,11E,13E,16R)-6-[(2S,3R,4R,5S,6R)-5-[(2S,4R,5S,6S)-4,5-diacetoxy-4,6-dimethyl-tetrahydropyran-2-yl]oxy-4-(dimethylamino)-3-hydroxy-6-methyl-tetrahydropyran-2-yl]oxy-10-[(2R,5S,6S)-5-(dimethylamino)-6-methyl-tetrahydropyran-2-yl]oxy-2-keto-7-(2-ketoethyl)-5-methoxy-9,16-dimethyl-1-oxacyclohexadeca-11,13-dien-4-yl] ester Formula: C49H80N2O17 MolecularWeight: 969.1627

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC=CC=CC(C(CC(C(C(C(CC(=O)O1)OC(=O)C)OC)OC2C(C(C(C(O2)C)OC3CC(C(C(O3)C)OC(=O)C)(C)OC(=O)C)N(C)C)O)CC=O)C)OC4CCC(C(O4)C)N(C)C

Isomeric SMILES

C[C@@H]1C/C=C/C=C/[C@@H]([C@@H](C[C@@H]([C@@H]([C@H]([C@@H](CC(=O)O1)OC(=O)C)OC)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)C)O[C@H]3C[C@@]([C@H]([C@@H](O3)C)OC(=O)C)(C)OC(=O)C)N(C)C)O)CC=O)C)O[C@H]4CC[C@@H]([C@@H](O4)C)N(C)C

InChI

InChI=1S/C49H80N2O17/c1-27-24-35(22-23-52)45(67-48-43(57)42(51(12)13)44(30(4)62-48)66-41-26-49(9,68-34(8)55)47(31(5)61-41)64-33(7)54)46(58-14)38(63-32(6)53)25-39(56)59-28(2)18-16-15-17-19-37(27)65-40-21-20-36(50(10)11)29(3)60-40/h15-17,19,23,27-31,35-38,40-48,57H,18,20-22,24-26H2,1-14H3/b16-15+,19-17+/t27-,28-,29+,30-,31+,35+,36+,37+,38-,40+,41+,42-,43-,44-,45+,46+,47+,48+,49-/m1/s1