7-[4-(dimethylamino)-6-methyl-3-oxidanyl-oxan-2-yl]oxy-13-ethyl-6-methoxy-2,4,6,8,10,14-hexamethyl-17-(2-purin-9-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-purin-9-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-purin-9-ylethylsulfanyl)-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-(9-purinyl)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-purin-9-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-purin-9-ylethylthio)-12,15-dioxabicyclo[12.3.0]heptadecane-3,9,11,16-diquinone Formula: C39H59N5O10S MolecularWeight: 789.97826

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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)O)(C)OC)C)C)C(C(=O)O2)SCCN4C=NC5=CN=CN=C54)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)SCCN4C=NC5=CN=CN=C54)C

InChI

InChI=1S/C39H59N5O10S/c1-12-27-39(8)28(32(36(49)54-39)55-14-13-44-19-42-25-17-40-18-41-34(25)44)22(4)29(45)20(2)16-38(7,50-11)33(23(5)30(46)24(6)35(48)52-27)53-37-31(47)26(43(9)10)15-21(3)51-37/h17-24,26-28,31-33,37,47H,12-16H2,1-11H3