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

Systemtic Name: [(4R,5S,6S,7R,9R,10R,11E,13E,16R)-6-[(2S,3R,4R,5S,6R)-4-(dimethylamino)-5-[(2S,4R,5S,6S)-4-methoxy-4,6-dimethyl-5-propanoyloxy-oxan-2-yl]oxy-6-methyl-3-oxidanyl-oxan-2-yl]oxy-10-(1-ethoxyethoxy)-5-methoxy-9,16-dimethyl-2-oxidanylidene-7-(2-oxidanylideneethyl)-1-oxacyclohexadeca-11,13-dien-4-yl] propanoate Openeye Name: [(4R,5S,6S,7R,9R,10R,11E,13E,16R)-6-[(2S,3R,4R,5S,6R)-4-(dimethylamino)-3-hydroxy-5-[(2S,4R,5S,6S)-4-methoxy-4,6-dimethyl-5-propanoyloxy-tetrahydropyran-2-yl]oxy-6-methyl-tetrahydropyran-2-yl]oxy-10-(1-ethoxyethoxy)-5-methoxy-9,16-dimethyl-2-oxo-7-(2-oxoethyl)-1-oxacyclohexadeca-11,13-dien-4-yl] propanoate CAS Name: propanoic acid [(4R,5S,6S,7R,9R,10R,11E,13E,16R)-6-[[(2S,3R,4R,5S,6R)-4-(dimethylamino)-3-hydroxy-5-[[(2S,4R,5S,6S)-4-methoxy-4,6-dimethyl-5-(1-oxopropoxy)-2-oxanyl]oxy]-6-methyl-2-oxanyl]oxy]-10-(1-ethoxyethoxy)-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)-4-(dimethylamino)-3-hydroxy-5-[(2S,4R,5S,6S)-4-methoxy-4,6-dimethyl-5-propanoyloxyoxan-2-yl]oxy-6-methyloxan-2-yl]oxy-10-(1-ethoxyethoxy)-5-methoxy-9,16-dimethyl-2-oxo-7-(2-oxoethyl)-1-oxacyclohexadeca-11,13-dien-4-yl] propanoate Traditional Name: propionic acid [(4R,5S,6S,7R,9R,10R,11E,13E,16R)-6-[(2S,3R,4R,5S,6R)-4-(dimethylamino)-3-hydroxy-5-[(2S,4R,5S,6S)-4-methoxy-4,6-dimethyl-5-propionyloxy-tetrahydropyran-2-yl]oxy-6-methyl-tetrahydropyran-2-yl]oxy-10-(1-ethoxyethoxy)-2-keto-7-(2-ketoethyl)-5-methoxy-9,16-dimethyl-1-oxacyclohexadeca-11,13-dien-4-yl] ester Formula: C46H77NO16 MolecularWeight: 900.10068

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)OC1CC(=O)OC(CC=CC=CC(C(CC(C(C1OC)OC2C(C(C(C(O2)C)OC3CC(C(C(O3)C)OC(=O)CC)(C)OC)N(C)C)O)CC=O)C)OC(C)OCC)C

Isomeric SMILES

CCC(=O)O[C@@H]1CC(=O)O[C@@H](C/C=C/C=C/[C@@H]([C@@H](C[C@@H]([C@@H]([C@H]1OC)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)CC)(C)OC)N(C)C)O)CC=O)C)OC(C)OCC)C

InChI

InChI=1S/C46H77NO16/c1-14-35(49)60-34-25-37(51)56-28(5)20-18-17-19-21-33(59-31(8)55-16-3)27(4)24-32(22-23-48)42(43(34)53-12)63-45-40(52)39(47(10)11)41(29(6)58-45)62-38-26-46(9,54-13)44(30(7)57-38)61-36(50)15-2/h17-19,21,23,27-34,38-45,52H,14-16,20,22,24-26H2,1-13H3/b18-17+,21-19+/t27-,28-,29-,30+,31?,32+,33+,34-,38+,39-,40-,41-,42+,43+,44+,45+,46-/m1/s1