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

Systemtic Name: [6-[4-(dimethylamino)-6-[[16-ethyl-5-methoxy-9-methyl-4,10-bis(oxidanyl)-2-oxidanylidene-7-(2-oxidanylideneethyl)-1-oxacyclohexadeca-11,13-dien-6-yl]oxy]-2-methyl-5-oxidanyl-oxan-3-yl]oxy-2,4-dimethyl-4-oxidanyl-oxan-3-yl] 3-methylbutanoate Openeye Name: [6-[4-(dimethylamino)-6-[[16-ethyl-4,10-dihydroxy-5-methoxy-9-methyl-2-oxo-7-(2-oxoethyl)-1-oxacyclohexadeca-11,13-dien-6-yl]oxy]-5-hydroxy-2-methyl-tetrahydropyran-3-yl]oxy-4-hydroxy-2,4-dimethyl-tetrahydropyran-3-yl] 3-methylbutanoate CAS Name: 3-methylbutanoic acid [6-[[4-(dimethylamino)-6-[[16-ethyl-4,10-dihydroxy-5-methoxy-9-methyl-2-oxo-7-(2-oxoethyl)-1-oxacyclohexadeca-11,13-dien-6-yl]oxy]-5-hydroxy-2-methyl-3-oxanyl]oxy]-4-hydroxy-2,4-dimethyl-3-oxanyl] ester IUPAC Name: [6-[4-(dimethylamino)-6-[[16-ethyl-4,10-dihydroxy-5-methoxy-9-methyl-2-oxo-7-(2-oxoethyl)-1-oxacyclohexadeca-11,13-dien-6-yl]oxy]-5-hydroxy-2-methyloxan-3-yl]oxy-4-hydroxy-2,4-dimethyloxan-3-yl] 3-methylbutanoate Traditional Name: 3-methylbutyric acid [6-[4-(dimethylamino)-6-[[16-ethyl-4,10-dihydroxy-2-keto-7-(2-ketoethyl)-5-methoxy-9-methyl-1-oxacyclohexadeca-11,13-dien-6-yl]oxy]-5-hydroxy-2-methyl-tetrahydropyran-3-yl]oxy-4-hydroxy-2,4-dimethyl-tetrahydropyran-3-yl] ester Formula: C41H69NO14 MolecularWeight: 799.98486

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Descriptors Computed from Structure

Canonical SMILES:

CCC1CC=CC=CC(C(CC(C(C(C(CC(=O)O1)O)OC)OC2C(C(C(C(O2)C)OC3CC(C(C(O3)C)OC(=O)CC(C)C)(C)O)N(C)C)O)CC=O)C)O

Isomeric SMILES

CCC1CC=CC=CC(C(CC(C(C(C(CC(=O)O1)O)OC)OC2C(C(C(C(O2)C)OC3CC(C(C(O3)C)OC(=O)CC(C)C)(C)O)N(C)C)O)CC=O)C)O

InChI

InChI=1S/C41H69NO14/c1-11-28-15-13-12-14-16-29(44)24(4)20-27(17-18-43)37(38(50-10)30(45)21-32(47)53-28)56-40-35(48)34(42(8)9)36(25(5)52-40)55-33-22-41(7,49)39(26(6)51-33)54-31(46)19-23(2)3/h12-14,16,18,23-30,33-40,44-45,48-49H,11,15,17,19-22H2,1-10H3