[(2S,3S,4R,6S)-6-[(2R,4R,5R,6S)-6-[[(4R,5S,6S,7R,9R,10R,11E,14R)-4-acetyloxy-7-(2,2-dimethoxyethyl)-10-(dimethylamino)-5-methoxy-9,14-dimethyl-2-oxidanylidene-1-oxacyclotetradec-11-en-6-yl]oxy]-4-(dimethylamino)-2-methyl-5-oxidanyl-oxan-3-yl]oxy-2,4-dimethyl-4-oxidanyl-oxan-3-yl] 3-methylbutanoate

Systemtic Name: [(2S,3S,4R,6S)-6-[(2R,4R,5R,6S)-6-[[(4R,5S,6S,7R,9R,10R,11E,14R)-4-acetyloxy-7-(2,2-dimethoxyethyl)-10-(dimethylamino)-5-methoxy-9,14-dimethyl-2-oxidanylidene-1-oxacyclotetradec-11-en-6-yl]oxy]-4-(dimethylamino)-2-methyl-5-oxidanyl-oxan-3-yl]oxy-2,4-dimethyl-4-oxidanyl-oxan-3-yl] 3-methylbutanoate Openeye Name: [(2S,3S,4R,6S)-6-[(2R,4R,5R,6S)-6-[[(4R,5S,6S,7R,9R,10R,11E,14R)-4-acetoxy-7-(2,2-dimethoxyethyl)-10-(dimethylamino)-5-methoxy-9,14-dimethyl-2-oxo-1-oxacyclotetradec-11-en-6-yl]oxy]-4-(dimethylamino)-5-hydroxy-2-methyl-tetrahydropyran-3-yl]oxy-4-hydroxy-2,4-dimethyl-tetrahydropyran-3-yl] 3-methylbutanoate CAS Name: 3-methylbutanoic acid [(2S,3S,4R,6S)-6-[[(2R,4R,5R,6S)-6-[[(4R,5S,6S,7R,9R,10R,11E,14R)-4-acetyloxy-7-(2,2-dimethoxyethyl)-10-(dimethylamino)-5-methoxy-9,14-dimethyl-2-oxo-1-oxacyclotetradec-11-en-6-yl]oxy]-4-(dimethylamino)-5-hydroxy-2-methyl-3-oxanyl]oxy]-4-hydroxy-2,4-dimethyl-3-oxanyl] ester IUPAC Name: [(2S,3S,4R,6S)-6-[(2R,4R,5R,6S)-6-[[(4R,5S,6S,7R,9R,10R,11E,14R)-4-acetyloxy-7-(2,2-dimethoxyethyl)-10-(dimethylamino)-5-methoxy-9,14-dimethyl-2-oxo-1-oxacyclotetradec-11-en-6-yl]oxy]-4-(dimethylamino)-5-hydroxy-2-methyloxan-3-yl]oxy-4-hydroxy-2,4-dimethyloxan-3-yl] 3-methylbutanoate Traditional Name: 3-methylbutyric acid [(2S,3S,4R,6S)-6-[(2R,4R,5R,6S)-6-[[(4R,5S,6S,7R,9R,10R,11E,14R)-4-acetoxy-7-(2,2-dimethoxyethyl)-10-(dimethylamino)-2-keto-5-methoxy-9,14-dimethyl-1-oxacyclotetradec-11-en-6-yl]oxy]-4-(dimethylamino)-5-hydroxy-2-methyl-tetrahydropyran-3-yl]oxy-4-hydroxy-2,4-dimethyl-tetrahydropyran-3-yl] ester Formula: C44H78N2O15 MolecularWeight: 875.09452

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC=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)CC(C)C)(C)O)N(C)C)O)CC(OC)OC)C)N(C)C

Isomeric SMILES

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

InChI

InChI=1S/C44H78N2O15/c1-24(2)19-33(48)59-42-28(6)56-36(23-44(42,8)51)60-39-27(5)57-43(38(50)37(39)46(11)12)61-40-30(21-35(52-13)53-14)20-25(3)31(45(9)10)18-16-17-26(4)55-34(49)22-32(41(40)54-15)58-29(7)47/h16,18,24-28,30-32,35-43,50-51H,17,19-23H2,1-15H3/b18-16+/t25-,26-,27-,28+,30-,31+,32-,36+,37-,38-,39?,40+,41+,42+,43+,44-/m1/s1