tildipirosin

CAS: 328898-40-4

Formula: C41H71N3O8

SMILES: [H][C@@]1(O[C@H]2[C@@H](CCN3CCCCC3)C[C@@H](C)C(=O)\C=C\C(\C)=C\[C@H](CN3CCCCC3)[C@@H](CC)OC(=O)C[C@@H](O)[C@@H]2C)O[C@H](C)[C@@H](O)[C@@H]([C@H]1O)N(C)C

IUPAC: (4R,5S,6S,7R,9R,11E,13E,15R,16R)-6-{[(2R,3R,4S,5S,6R)-4-(dimethylamino)-3,5-dihydroxy-6-methyloxan-2-yl]oxy}-16-ethyl-4-hydroxy-5,9,13-trimethyl-7-[2-(piperidin-1-yl)ethyl]-15-[(piperidin-1-yl)methyl]-1-oxacyclohexadeca-11,13-diene-2,10-dione

InChI: InChI=1S/C41H71N3O8/c1-8-35-32(26-44-20-13-10-14-21-44)23-27(2)15-16-33(45)28(3)24-31(17-22-43-18-11-9-12-19-43)40(29(4)34(46)25-36(47)51-35)52-41-39(49)37(42(6)7)38(48)30(5)50-41/h15-16,23,28-32,34-35,37-41,46,48-49H,8-14,17-22,24-26H2,1-7H3/b16-15+,27-23+/t28-,29-,30-,31+,32-,34-,35-,37+,38-,39-,40-,41-/m1/s1

Composition: C (67.09%), H (9.75%), N (5.72%), O (17.44%)

Molar Mass: 734.032

Atom Count: 123

Heavy Atom Count: 52