7-[4-(dimethylamino)-6-methyl-3-oxidanyl-oxan-2-yl]oxy-13-ethyl-6-methoxy-2,4,6,8,10,14-hexamethyl-17-(phenylmethylsulfanyl)-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-(phenylmethylsulfanyl)-12,15-dioxabicyclo[12.3.0]heptadecane-3,9,11,16-tetrone Openeye Name: 17-benzylsulfanyl-7-[4-(dimethylamino)-3-hydroxy-6-methyl-tetrahydropyran-2-yl]oxy-13-ethyl-6-methoxy-2,4,6,8,10,14-hexamethyl-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-(phenylmethylthio)-12,15-dioxabicyclo[12.3.0]heptadecane-3,9,11,16-tetrone IUPAC Name: 17-benzylsulfanyl-7-[4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-13-ethyl-6-methoxy-2,4,6,8,10,14-hexamethyl-12,15-dioxabicyclo[12.3.0]heptadecane-3,9,11,16-tetrone Traditional Name: 17-(benzylthio)-7-[4-(dimethylamino)-3-hydroxy-6-methyl-tetrahydropyran-2-yl]oxy-13-ethyl-6-methoxy-2,4,6,8,10,14-hexamethyl-12,15-dioxabicyclo[12.3.0]heptadecane-3,9,11,16-diquinone Formula: C39H59NO10S MolecularWeight: 733.95146

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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)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)O)(C)OC)C)C)C(C(=O)O2)SCC4=CC=CC=C4)C

InChI

InChI=1S/C39H59NO10S/c1-12-28-39(8)29(33(36(45)50-39)51-20-26-16-14-13-15-17-26)23(4)30(41)21(2)19-38(7,46-11)34(24(5)31(42)25(6)35(44)48-28)49-37-32(43)27(40(9)10)18-22(3)47-37/h13-17,21-25,27-29,32-34,37,43H,12,18-20H2,1-11H3