[6-[5-acetyloxy-6-[[(14E)-7-acetyloxy-2-(acetyloxymethyl)-3-ethyl-8,12,16-trimethyl-5,13-bis(oxidanylidene)-10-(2-oxidanylideneethyl)-4,17-dioxabicyclo[14.1.0]heptadec-14-en-9-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-[[(14E)-7-acetyloxy-2-(acetyloxymethyl)-3-ethyl-8,12,16-trimethyl-5,13-bis(oxidanylidene)-10-(2-oxidanylideneethyl)-4,17-dioxabicyclo[14.1.0]heptadec-14-en-9-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-[[(14E)-7-acetoxy-2-(acetoxymethyl)-3-ethyl-8,12,16-trimethyl-5,13-dioxo-10-(2-oxoethyl)-4,17-dioxabicyclo[14.1.0]heptadec-14-en-9-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-[[(14E)-7-acetyloxy-2-(acetyloxymethyl)-3-ethyl-8,12,16-trimethyl-5,13-dioxo-10-(2-oxoethyl)-4,17-dioxabicyclo[14.1.0]heptadec-14-en-9-yl]oxy]-4-(dimethylamino)-2-methyl-3-oxanyl]oxy]-4-hydroxy-2,4-dimethyl-3-oxanyl] ester IUPAC Name: [6-[5-acetyloxy-6-[[(14E)-7-acetyloxy-2-(acetyloxymethyl)-3-ethyl-8,12,16-trimethyl-5,13-dioxo-10-(2-oxoethyl)-4,17-dioxabicyclo[14.1.0]heptadec-14-en-9-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-[[(14E)-7-acetoxy-2-(acetoxymethyl)-3-ethyl-5,13-diketo-10-(2-ketoethyl)-8,12,16-trimethyl-4,17-dioxabicyclo[14.1.0]heptadec-14-en-9-yl]oxy]-4-(dimethylamino)-2-methyl-tetrahydropyran-3-yl]oxy-4-hydroxy-2,4-dimethyl-tetrahydropyran-3-yl] ester Formula: C49H77NO18 MolecularWeight: 968.13158

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Descriptors Computed from Structure

Canonical SMILES:

CCC1C(C2C(O2)(C=CC(=O)C(CC(C(C(C(CC(=O)O1)OC(=O)C)C)OC3C(C(C(C(O3)C)OC4CC(C(C(O4)C)OC(=O)CC(C)C)(C)O)N(C)C)OC(=O)C)CC=O)C)C)COC(=O)C

Isomeric SMILES

CCC1C(C2C(O2)(/C=C/C(=O)C(CC(C(C(C(CC(=O)O1)OC(=O)C)C)OC3C(C(C(C(O3)C)OC4CC(C(C(O4)C)OC(=O)CC(C)C)(C)O)N(C)C)OC(=O)C)CC=O)C)C)COC(=O)C

InChI

InChI=1S/C49H77NO18/c1-15-36-34(24-59-30(8)52)46-49(12,68-46)18-16-35(55)26(4)21-33(17-19-51)42(27(5)37(62-31(9)53)22-39(57)64-36)67-47-44(63-32(10)54)41(50(13)14)43(28(6)61-47)66-40-23-48(11,58)45(29(7)60-40)65-38(56)20-25(2)3/h16,18-19,25-29,33-34,36-37,40-47,58H,15,17,20-24H2,1-14H3/b18-16+