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

Systemtic Name: [4-(dimethylamino)-2-[[(10E)-14-ethyl-4-[4-methoxy-4,6-dimethyl-5-(phenylcarbonyloxy)oxan-2-yl]oxy-3,5,7,9,11,13-hexamethyl-7,12,13-tris(oxidanyl)-2-oxidanylidene-10-phenylsulfanylimino-1-oxacyclotetradec-6-yl]oxy]-6-methyl-oxan-3-yl] benzoate Openeye Name: [2-[[(10E)-4-(5-benzoyloxy-4-methoxy-4,6-dimethyl-tetrahydropyran-2-yl)oxy-14-ethyl-7,12,13-trihydroxy-3,5,7,9,11,13-hexamethyl-2-oxo-10-phenylsulfanylimino-oxacyclotetradec-6-yl]oxy]-4-(dimethylamino)-6-methyl-tetrahydropyran-3-yl] benzoate CAS Name: benzoic acid [2-[[(10E)-4-[(5-benzoyloxy-4-methoxy-4,6-dimethyl-2-oxanyl)oxy]-14-ethyl-7,12,13-trihydroxy-3,5,7,9,11,13-hexamethyl-2-oxo-10-(phenylthio)imino-oxacyclotetradec-6-yl]oxy]-4-(dimethylamino)-6-methyl-3-oxanyl] ester IUPAC Name: [2-[[(10E)-4-(5-benzoyloxy-4-methoxy-4,6-dimethyloxan-2-yl)oxy-14-ethyl-7,12,13-trihydroxy-3,5,7,9,11,13-hexamethyl-2-oxo-10-phenylsulfanylimino-oxacyclotetradec-6-yl]oxy]-4-(dimethylamino)-6-methyloxan-3-yl] benzoate Traditional Name: benzoic acid [2-[[(10E)-4-(5-benzoyloxy-4-methoxy-4,6-dimethyl-tetrahydropyran-2-yl)oxy-14-ethyl-7,12,13-trihydroxy-2-keto-3,5,7,9,11,13-hexamethyl-10-(phenylthio)imino-oxacyclotetradec-6-yl]oxy]-4-(dimethylamino)-6-methyl-tetrahydropyran-3-yl] ester Formula: C57H80N2O14S MolecularWeight: 1049.3151

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Descriptors Computed from Structure

Canonical SMILES:

CCC1C(C(C(C(=NSC2=CC=CC=C2)C(CC(C(C(C(C(C(=O)O1)C)OC3CC(C(C(O3)C)OC(=O)C4=CC=CC=C4)(C)OC)C)OC5C(C(CC(O5)C)N(C)C)OC(=O)C6=CC=CC=C6)(C)O)C)C)O)(C)O

Isomeric SMILES

CCC1C(C(C(/C(=N/SC2=CC=CC=C2)/C(CC(C(C(C(C(C(=O)O1)C)OC3CC(C(C(O3)C)OC(=O)C4=CC=CC=C4)(C)OC)C)OC5C(C(CC(O5)C)N(C)C)OC(=O)C6=CC=CC=C6)(C)O)C)C)O)(C)O

InChI

InChI=1S/C57H80N2O14S/c1-14-43-57(10,65)48(60)35(4)45(58-74-41-28-22-17-23-29-41)33(2)31-55(8,64)49(73-54-47(42(59(11)12)30-34(3)67-54)71-52(62)39-24-18-15-19-25-39)36(5)46(37(6)51(61)69-43)70-44-32-56(9,66-13)50(38(7)68-44)72-53(63)40-26-20-16-21-27-40/h15-29,33-38,42-44,46-50,54,60,64-65H,14,30-32H2,1-13H3/b58-45+