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

Systemtic Name: [6-[5-acetyloxy-6-[[4,10-diacetyloxy-5-methoxy-9,16-dimethyl-2-oxidanylidene-7-(2-oxidanylideneethyl)-1-oxacyclohexadeca-11,13-dien-6-yl]oxy]-4-(dimethylamino)-2-methyl-oxan-3-yl]oxy-2,4-dimethyl-4-oxidanyl-oxan-3-yl] 3-methylbutanoate Openeye Name: [6-[5-acetoxy-6-[[4,10-diacetoxy-5-methoxy-9,16-dimethyl-2-oxo-7-(2-oxoethyl)-1-oxacyclohexadeca-11,13-dien-6-yl]oxy]-4-(dimethylamino)-2-methyl-tetrahydropyran-3-yl]oxy-4-hydroxy-2,4-dimethyl-tetrahydropyran-3-yl] 3-methylbutanoate CAS Name: 3-methylbutanoic acid [6-[[5-acetyloxy-6-[[4,10-diacetyloxy-5-methoxy-9,16-dimethyl-2-oxo-7-(2-oxoethyl)-1-oxacyclohexadeca-11,13-dien-6-yl]oxy]-4-(dimethylamino)-2-methyl-3-oxanyl]oxy]-4-hydroxy-2,4-dimethyl-3-oxanyl] ester IUPAC Name: [6-[5-acetyloxy-6-[[4,10-diacetyloxy-5-methoxy-9,16-dimethyl-2-oxo-7-(2-oxoethyl)-1-oxacyclohexadeca-11,13-dien-6-yl]oxy]-4-(dimethylamino)-2-methyloxan-3-yl]oxy-4-hydroxy-2,4-dimethyloxan-3-yl] 3-methylbutanoate Traditional Name: 3-methylbutyric acid [6-[5-acetoxy-6-[[4,10-diacetoxy-2-keto-7-(2-ketoethyl)-5-methoxy-9,16-dimethyl-1-oxacyclohexadeca-11,13-dien-6-yl]oxy]-4-(dimethylamino)-2-methyl-tetrahydropyran-3-yl]oxy-4-hydroxy-2,4-dimethyl-tetrahydropyran-3-yl] ester Formula: C46H73NO17 MolecularWeight: 912.06832

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

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

InChI

InChI=1S/C46H73NO17/c1-25(2)21-36(52)62-44-29(6)57-38(24-46(44,10)54)63-40-28(5)58-45(43(61-32(9)51)39(40)47(11)12)64-41-33(19-20-48)22-26(3)34(59-30(7)49)18-16-14-15-17-27(4)56-37(53)23-35(42(41)55-13)60-31(8)50/h14-16,18,20,25-29,33-35,38-45,54H,17,19,21-24H2,1-13H3