7-[4-(dimethylamino)-6-methyl-3-oxidanyl-oxan-2-yl]oxy-13-ethyl-6-methoxy-2,4,6,8,10,14-hexamethyl-17-phenethylsulfanyl-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-phenethylsulfanyl-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-phenethylsulfanyl-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-(phenethylthio)-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-phenethylsulfanyl-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-(phenethylthio)-12,15-dioxabicyclo[12.3.0]heptadecane-3,9,11,16-diquinone Formula: C40H61NO10S MolecularWeight: 747.97804

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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)SCCC4=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)O)(C)OC)C)C)C(C(=O)O2)SCCC4=CC=CC=C4)C

InChI

InChI=1S/C40H61NO10S/c1-12-29-40(8)30(34(37(46)51-40)52-19-18-27-16-14-13-15-17-27)24(4)31(42)22(2)21-39(7,47-11)35(25(5)32(43)26(6)36(45)49-29)50-38-33(44)28(41(9)10)20-23(3)48-38/h13-17,22-26,28-30,33-35,38,44H,12,18-21H2,1-11H3