7-[4-(dimethylamino)-6-methyl-3-oxidanyl-oxan-2-yl]oxy-13-ethyl-6-methoxy-2,4,6,8,10,14-hexamethyl-17-(2-pyridin-2-ylethylsulfanyl)-12,15-dioxabicyclo[12.3.0]heptadecane-3,9,11,16-tetrone

Systemtic Name: 7-[4-(dimethylamino)-6-methyl-3-oxidanyl-oxan-2-yl]oxy-13-ethyl-6-methoxy-2,4,6,8,10,14-hexamethyl-17-(2-pyridin-2-ylethylsulfanyl)-12,15-dioxabicyclo[12.3.0]heptadecane-3,9,11,16-tetrone Openeye Name: 7-[4-(dimethylamino)-3-hydroxy-6-methyl-tetrahydropyran-2-yl]oxy-13-ethyl-6-methoxy-2,4,6,8,10,14-hexamethyl-17-[2-(2-pyridyl)ethylsulfanyl]-12,15-dioxabicyclo[12.3.0]heptadecane-3,9,11,16-tetrone CAS Name: 7-[[4-(dimethylamino)-3-hydroxy-6-methyl-2-oxanyl]oxy]-13-ethyl-6-methoxy-2,4,6,8,10,14-hexamethyl-17-[2-(2-pyridinyl)ethylthio]-12,15-dioxabicyclo[12.3.0]heptadecane-3,9,11,16-tetrone IUPAC Name: 7-[4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-13-ethyl-6-methoxy-2,4,6,8,10,14-hexamethyl-17-(2-pyridin-2-ylethylsulfanyl)-12,15-dioxabicyclo[12.3.0]heptadecane-3,9,11,16-tetrone Traditional Name: 7-[4-(dimethylamino)-3-hydroxy-6-methyl-tetrahydropyran-2-yl]oxy-13-ethyl-6-methoxy-2,4,6,8,10,14-hexamethyl-17-[2-(2-pyridyl)ethylthio]-12,15-dioxabicyclo[12.3.0]heptadecane-3,9,11,16-diquinone Formula: C39H60N2O10S MolecularWeight: 748.9661

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)O)(C)OC)C)C)C(C(=O)O2)SCCC4=CC=CC=N4)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)O)(C)OC)C)C)C(C(=O)O2)SCCC4=CC=CC=N4)C

InChI

InChI=1S/C39H60N2O10S/c1-12-28-39(8)29(33(36(46)51-39)52-18-16-26-15-13-14-17-40-26)23(4)30(42)21(2)20-38(7,47-11)34(24(5)31(43)25(6)35(45)49-28)50-37-32(44)27(41(9)10)19-22(3)48-37/h13-15,17,21-25,27-29,32-34,37,44H,12,16,18-20H2,1-11H3