[4-(dimethylamino)-2-[[13-ethyl-6-methoxy-2,4,6,8,10,14-hexamethyl-17-methylsulfanyl-3,9,11,16-tetrakis(oxidanylidene)-12,15-dioxabicyclo[12.3.0]heptadecan-7-yl]oxy]-6-methyl-oxan-3-yl] ethanoate

Systemtic Name: [4-(dimethylamino)-2-[[13-ethyl-6-methoxy-2,4,6,8,10,14-hexamethyl-17-methylsulfanyl-3,9,11,16-tetrakis(oxidanylidene)-12,15-dioxabicyclo[12.3.0]heptadecan-7-yl]oxy]-6-methyl-oxan-3-yl] ethanoate Openeye Name: [4-(dimethylamino)-2-[(13-ethyl-6-methoxy-2,4,6,8,10,14-hexamethyl-17-methylsulfanyl-3,9,11,16-tetraoxo-12,15-dioxabicyclo[12.3.0]heptadecan-7-yl)oxy]-6-methyl-tetrahydropyran-3-yl] acetate CAS Name: acetic acid [4-(dimethylamino)-2-[[13-ethyl-6-methoxy-2,4,6,8,10,14-hexamethyl-17-(methylthio)-3,9,11,16-tetraoxo-12,15-dioxabicyclo[12.3.0]heptadecan-7-yl]oxy]-6-methyl-3-oxanyl] ester IUPAC Name: [4-(dimethylamino)-2-[(13-ethyl-6-methoxy-2,4,6,8,10,14-hexamethyl-17-methylsulfanyl-3,9,11,16-tetraoxo-12,15-dioxabicyclo[12.3.0]heptadecan-7-yl)oxy]-6-methyloxan-3-yl] acetate Traditional Name: acetic acid [4-(dimethylamino)-2-[[13-ethyl-3,9,11,16-tetraketo-6-methoxy-2,4,6,8,10,14-hexamethyl-17-(methylthio)-12,15-dioxabicyclo[12.3.0]heptadecan-7-yl]oxy]-6-methyl-tetrahydropyran-3-yl] ester Formula: C35H57NO11S MolecularWeight: 699.89218

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1C2(C(C(C(=O)C(CC(C(C(C(=O)C(C(=O)O1)C)C)OC3C(C(CC(O3)C)N(C)C)OC(=O)C)(C)OC)C)C)C(C(=O)O2)SC)C

Isomeric SMILES

CCC1C2(C(C(C(=O)C(CC(C(C(C(=O)C(C(=O)O1)C)C)OC3C(C(CC(O3)C)N(C)C)OC(=O)C)(C)OC)C)C)C(C(=O)O2)SC)C

InChI

InChI=1S/C35H57NO11S/c1-14-24-35(9)25(29(48-13)32(41)47-35)19(4)26(38)17(2)16-34(8,42-12)30(20(5)27(39)21(6)31(40)45-24)46-33-28(44-22(7)37)23(36(10)11)15-18(3)43-33/h17-21,23-25,28-30,33H,14-16H2,1-13H3