[4-(dimethylamino)-2-[[14-ethyl-4-(4-methoxy-4,6-dimethyl-5-oxidanyl-oxan-2-yl)oxy-3,5,7,9,11,13-hexamethyl-7,12,13-tris(oxidanyl)-2,10-bis(oxidanylidene)-1-oxacyclotetradec-6-yl]oxy]-6-methyl-oxan-3-yl] 5-nitrofuran-2-carboxylate

Systemtic Name: [4-(dimethylamino)-2-[[14-ethyl-4-(4-methoxy-4,6-dimethyl-5-oxidanyl-oxan-2-yl)oxy-3,5,7,9,11,13-hexamethyl-7,12,13-tris(oxidanyl)-2,10-bis(oxidanylidene)-1-oxacyclotetradec-6-yl]oxy]-6-methyl-oxan-3-yl] 5-nitrofuran-2-carboxylate Openeye Name: [4-(dimethylamino)-2-[[14-ethyl-7,12,13-trihydroxy-4-(5-hydroxy-4-methoxy-4,6-dimethyl-tetrahydropyran-2-yl)oxy-3,5,7,9,11,13-hexamethyl-2,10-dioxo-oxacyclotetradec-6-yl]oxy]-6-methyl-tetrahydropyran-3-yl] 5-nitrofuran-2-carboxylate CAS Name: 5-nitro-2-furancarboxylic acid [4-(dimethylamino)-2-[[14-ethyl-7,12,13-trihydroxy-4-[(5-hydroxy-4-methoxy-4,6-dimethyl-2-oxanyl)oxy]-3,5,7,9,11,13-hexamethyl-2,10-dioxo-oxacyclotetradec-6-yl]oxy]-6-methyl-3-oxanyl] ester IUPAC Name: [4-(dimethylamino)-2-[[14-ethyl-7,12,13-trihydroxy-4-(5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl)oxy-3,5,7,9,11,13-hexamethyl-2,10-dioxo-oxacyclotetradec-6-yl]oxy]-6-methyloxan-3-yl] 5-nitrofuran-2-carboxylate Traditional Name: 5-nitrofuran-2-carboxylic acid [4-(dimethylamino)-2-[[14-ethyl-7,12,13-trihydroxy-4-(5-hydroxy-4-methoxy-4,6-dimethyl-tetrahydropyran-2-yl)oxy-2,10-diketo-3,5,7,9,11,13-hexamethyl-oxacyclotetradec-6-yl]oxy]-6-methyl-tetrahydropyran-3-yl] ester Formula: C42H68N2O17 MolecularWeight: 872.99252

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Descriptors Computed from Structure

Canonical SMILES:

CCC1C(C(C(C(=O)C(CC(C(C(C(C(C(=O)O1)C)OC2CC(C(C(O2)C)O)(C)OC)C)OC3C(C(CC(O3)C)N(C)C)OC(=O)C4=CC=C(O4)[N+](=O)[O-])(C)O)C)C)O)(C)O

Isomeric SMILES

CCC1C(C(C(C(=O)C(CC(C(C(C(C(C(=O)O1)C)OC2CC(C(C(O2)C)O)(C)OC)C)OC3C(C(CC(O3)C)N(C)C)OC(=O)C4=CC=C(O4)[N+](=O)[O-])(C)O)C)C)O)(C)O

InChI

InChI=1S/C42H68N2O17/c1-14-28-42(10,51)34(46)22(4)31(45)20(2)18-40(8,50)36(23(5)32(24(6)37(48)58-28)59-30-19-41(9,54-13)35(47)25(7)56-30)61-39-33(26(43(11)12)17-21(3)55-39)60-38(49)27-15-16-29(57-27)44(52)53/h15-16,20-26,28,30,32-36,39,46-47,50-51H,14,17-19H2,1-13H3