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

Systemtic Name: [(2R,3R,4R,6R)-6-[(2S,3R,4S,5S,6R)-6-[[(4R,5S,6S,7R,9R,10S,11E,13E,16R)-4-acetyloxy-10-[(2S,5R,6S)-5-(dimethylamino)-6-methyl-oxan-2-yl]oxy-5-methoxy-9,16-dimethyl-2-oxidanylidene-7-(2-oxidanylideneethyl)-1-oxacyclohexadeca-11,13-dien-6-yl]oxy]-4-azanyl-2-methyl-5-oxidanyl-oxan-3-yl]oxy-4-methyl-2,4-bis(oxidanyl)oxan-3-yl] 3-methylbutanoate Openeye Name: [(2R,3R,4R,6R)-6-[(2S,3R,4S,5S,6R)-6-[[(4R,5S,6S,7R,9R,10S,11E,13E,16R)-4-acetoxy-10-[(2S,5R,6S)-5-(dimethylamino)-6-methyl-tetrahydropyran-2-yl]oxy-5-methoxy-9,16-dimethyl-2-oxo-7-(2-oxoethyl)-1-oxacyclohexadeca-11,13-dien-6-yl]oxy]-4-amino-5-hydroxy-2-methyl-tetrahydropyran-3-yl]oxy-2,4-dihydroxy-4-methyl-tetrahydropyran-3-yl] 3-methylbutanoate CAS Name: 3-methylbutanoic acid [(2R,3R,4R,6R)-6-[[(2S,3R,4S,5S,6R)-6-[[(4R,5S,6S,7R,9R,10S,11E,13E,16R)-4-acetyloxy-10-[[(2S,5R,6S)-5-(dimethylamino)-6-methyl-2-oxanyl]oxy]-5-methoxy-9,16-dimethyl-2-oxo-7-(2-oxoethyl)-1-oxacyclohexadeca-11,13-dien-6-yl]oxy]-4-amino-5-hydroxy-2-methyl-3-oxanyl]oxy]-2,4-dihydroxy-4-methyl-3-oxanyl] ester IUPAC Name: [(2R,3R,4R,6R)-6-[(2S,3R,4S,5S,6R)-6-[[(4R,5S,6S,7R,9R,10S,11E,13E,16R)-4-acetyloxy-10-[(2S,5R,6S)-5-(dimethylamino)-6-methyloxan-2-yl]oxy-5-methoxy-9,16-dimethyl-2-oxo-7-(2-oxoethyl)-1-oxacyclohexadeca-11,13-dien-6-yl]oxy]-4-amino-5-hydroxy-2-methyloxan-3-yl]oxy-2,4-dihydroxy-4-methyloxan-3-yl] 3-methylbutanoate Traditional Name: 3-methylbutyric acid [(2R,3R,4R,6R)-6-[(2S,3R,4S,5S,6R)-6-[[(4R,5S,6S,7R,9R,10S,11E,13E,16R)-4-acetoxy-10-[(2S,5R,6S)-5-(dimethylamino)-6-methyl-tetrahydropyran-2-yl]oxy-2-keto-7-(2-ketoethyl)-5-methoxy-9,16-dimethyl-1-oxacyclohexadeca-11,13-dien-6-yl]oxy]-4-amino-5-hydroxy-2-methyl-tetrahydropyran-3-yl]oxy-2,4-dihydroxy-4-methyl-tetrahydropyran-3-yl] ester Formula: C47H78N2O17 MolecularWeight: 943.12542

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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)O)OC(=O)CC(C)C)(C)O)N)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)O)OC(=O)CC(C)C)(C)O)N)O)CC=O)C)O[C@@H]4CC[C@H]([C@@H](O4)C)N(C)C

InChI

InChI=1S/C47H78N2O17/c1-25(2)21-35(52)63-44-45(55)65-38(24-47(44,8)56)64-41-29(6)60-46(40(54)39(41)48)66-42-31(19-20-50)22-26(3)33(62-37-18-17-32(49(9)10)28(5)59-37)16-14-12-13-15-27(4)58-36(53)23-34(43(42)57-11)61-30(7)51/h12-14,16,20,25-29,31-34,37-46,54-56H,15,17-19,21-24,48H2,1-11H3/b13-12+,16-14+/t26-,27-,28+,29+,31+,32-,33-,34-,37-,38-,39+,40+,41+,42+,43+,44+,45-,46-,47-/m1/s1