[4-(dimethylamino)-2-[[13-ethyl-6-methoxy-2,4,6,8,10,14-hexamethyl-3,9,11,16-tetrakis(oxidanylidene)-17-(phenylmethylsulfanyl)-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-3,9,11,16-tetrakis(oxidanylidene)-17-(phenylmethylsulfanyl)-12,15-dioxabicyclo[12.3.0]heptadecan-7-yl]oxy]-6-methyl-oxan-3-yl] ethanoate Openeye Name: [2-[(17-benzylsulfanyl-13-ethyl-6-methoxy-2,4,6,8,10,14-hexamethyl-3,9,11,16-tetraoxo-12,15-dioxabicyclo[12.3.0]heptadecan-7-yl)oxy]-4-(dimethylamino)-6-methyl-tetrahydropyran-3-yl] acetate CAS Name: acetic acid [4-(dimethylamino)-2-[[13-ethyl-6-methoxy-2,4,6,8,10,14-hexamethyl-3,9,11,16-tetraoxo-17-(phenylmethylthio)-12,15-dioxabicyclo[12.3.0]heptadecan-7-yl]oxy]-6-methyl-3-oxanyl] ester IUPAC Name: [2-[(17-benzylsulfanyl-13-ethyl-6-methoxy-2,4,6,8,10,14-hexamethyl-3,9,11,16-tetraoxo-12,15-dioxabicyclo[12.3.0]heptadecan-7-yl)oxy]-4-(dimethylamino)-6-methyloxan-3-yl] acetate Traditional Name: acetic acid [2-[[17-(benzylthio)-13-ethyl-3,9,11,16-tetraketo-6-methoxy-2,4,6,8,10,14-hexamethyl-12,15-dioxabicyclo[12.3.0]heptadecan-7-yl]oxy]-4-(dimethylamino)-6-methyl-tetrahydropyran-3-yl] ester Formula: C41H61NO11S MolecularWeight: 775.98814

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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)SCC4=CC=CC=C4)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)SCC4=CC=CC=C4)C

InChI

InChI=1S/C41H61NO11S/c1-13-30-41(9)31(35(38(47)53-41)54-21-28-17-15-14-16-18-28)24(4)32(44)22(2)20-40(8,48-12)36(25(5)33(45)26(6)37(46)51-30)52-39-34(50-27(7)43)29(42(10)11)19-23(3)49-39/h14-18,22-26,29-31,34-36,39H,13,19-21H2,1-12H3