[(2R)-4-oxidanylidenebutan-2-yl] (3R,4S,5S,6R,8R,9R)-5-[(2S,3R,4S,5S,6R)-3-acetyloxy-5-[(2S,4R,5S,6S)-5-butanoyloxy-4,6-dimethyl-4-propanoyloxy-oxan-2-yl]oxy-4-(dimethylamino)-6-methyl-oxan-2-yl]oxy-9-[tert-butyl(dimethyl)silyl]oxy-6-(2,2-dimethoxyethyl)-4-methoxy-8-methyl-3-oxidanyl-10-oxidanylidene-decanoate

Systemtic Name: [(2R)-4-oxidanylidenebutan-2-yl] (3R,4S,5S,6R,8R,9R)-5-[(2S,3R,4S,5S,6R)-3-acetyloxy-5-[(2S,4R,5S,6S)-5-butanoyloxy-4,6-dimethyl-4-propanoyloxy-oxan-2-yl]oxy-4-(dimethylamino)-6-methyl-oxan-2-yl]oxy-9-[tert-butyl(dimethyl)silyl]oxy-6-(2,2-dimethoxyethyl)-4-methoxy-8-methyl-3-oxidanyl-10-oxidanylidene-decanoate Openeye Name: [(1R)-1-methyl-3-oxo-propyl] (3R,4S,5S,6R,8R,9R)-5-[(2S,3R,4S,5S,6R)-3-acetoxy-5-[(2S,4R,5S,6S)-5-butanoyloxy-4,6-dimethyl-4-propanoyloxy-tetrahydropyran-2-yl]oxy-4-(dimethylamino)-6-methyl-tetrahydropyran-2-yl]oxy-9-[tert-butyl(dimethyl)silyl]oxy-6-(2,2-dimethoxyethyl)-3-hydroxy-4-methoxy-8-methyl-10-oxo-decanoate CAS Name: (3R,4S,5S,6R,8R,9R)-5-[[(2S,3R,4S,5S,6R)-3-acetyloxy-4-(dimethylamino)-5-[[(2S,4R,5S,6S)-4,6-dimethyl-5-(1-oxobutoxy)-4-(1-oxopropoxy)-2-oxanyl]oxy]-6-methyl-2-oxanyl]oxy]-9-[tert-butyl(dimethyl)silyl]oxy-6-(2,2-dimethoxyethyl)-3-hydroxy-4-methoxy-8-methyl-10-oxodecanoic acid [(2R)-4-oxobutan-2-yl] ester IUPAC Name: [(2R)-4-oxobutan-2-yl] (3R,4S,5S,6R,8R,9R)-5-[(2S,3R,4S,5S,6R)-3-acetyloxy-5-[(2S,4R,5S,6S)-5-butanoyloxy-4,6-dimethyl-4-propanoyloxyoxan-2-yl]oxy-4-(dimethylamino)-6-methyloxan-2-yl]oxy-9-[tert-butyl(dimethyl)silyl]oxy-6-(2,2-dimethoxyethyl)-3-hydroxy-4-methoxy-8-methyl-10-oxodecanoate Traditional Name: (3R,4S,5S,6R,8R,9R)-5-[(2S,3R,4S,5S,6R)-3-acetoxy-5-[(2S,4R,5S,6S)-5-butyryloxy-4,6-dimethyl-4-propionyloxy-tetrahydropyran-2-yl]oxy-4-(dimethylamino)-6-methyl-tetrahydropyran-2-yl]oxy-9-[tert-butyl(dimethyl)silyl]oxy-6-(2,2-dimethoxyethyl)-3-hydroxy-10-keto-4-methoxy-8-methyl-capric acid [(1R)-3-keto-1-methyl-propyl] ester Formula: C50H89NO19Si MolecularWeight: 1036.32246

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)OC1C(OC(CC1(C)OC(=O)CC)OC2C(OC(C(C2N(C)C)OC(=O)C)OC(C(CC(C)C(C=O)O[Si](C)(C)C(C)(C)C)CC(OC)OC)C(C(CC(=O)OC(C)CC=O)O)OC)C)C

Isomeric SMILES

CCCC(=O)O[C@H]1[C@@H](O[C@H](C[C@@]1(C)OC(=O)CC)O[C@@H]2[C@H](O[C@H]([C@@H]([C@H]2N(C)C)OC(=O)C)O[C@@H]([C@H](C[C@@H](C)[C@H](C=O)O[Si](C)(C)C(C)(C)C)CC(OC)OC)[C@H]([C@@H](CC(=O)O[C@H](C)CC=O)O)OC)C)C

InChI

InChI=1S/C50H89NO19Si/c1-19-21-38(57)66-47-32(6)63-41(27-50(47,11)69-37(56)20-2)67-43-31(5)64-48(46(65-33(7)54)42(43)51(12)13)68-44(45(61-16)35(55)26-39(58)62-30(4)22-23-52)34(25-40(59-14)60-15)24-29(3)36(28-53)70-71(17,18)49(8,9)10/h23,28-32,34-36,40-48,55H,19-22,24-27H2,1-18H3/t29-,30-,31-,32+,34-,35-,36+,41+,42+,43-,44+,45+,46-,47+,48+,50-/m1/s1