Nombre del analito

Fidaxomicin degradation impurity

Fórmula molecular

C41 H54 Cl2 O12

Peso molecular

809.76626

Masa exacta

808.2992

SMILES

O=C(O[C@@H]1[C@@H](C)O[C@@H](OC/C2=C/C=C/C[C@H](O)/C(C)=C/[C@H](CC)/C=C(C)/C=C(C)/C3([H])O[C@H](C)[C@@](C3)([H])OC2=O)[C@@H](OC)[C@H]1O)C4=C(O)C(Cl)=C(O)C(Cl)=C4CC

InChI

InChI=1S/C41H54Cl2O12/c1-9-25-16-20(3)15-22(5)29-18-30(23(6)52-29)54-39(48)26(13-11-12-14-28(44)21(4)17-25)19-51-41-38(50-8)36(47)37(24(7)53-41)55-40(49)31-27(10-2)32(42)35(46)33(43)34(31)45/h11-13,15-17,23-25,28-30,36-38,41,44-47H,9-10,14,18-19H2,1-8H3/b12-11+,20-16?,21-17+,22-15+,26-13-/t23-,24-,25-,28+,29?,30+,36+,37-,38+,41-/m1/s1

IUPAC

[(2R,3S,4S,5S,6R)-6-[[(1S,4Z,6E,9S,10E,12R,15E,19R)-12-ethyl-9-hydroxy-10,14,16,19-tetramethyl-3-oxo-2,18-dioxabicyclo[15.2.1]icosa-4,6,10,13,15-pentaen-4-yl]methoxy]-4-hydroxy-5-methoxy-2-methyl-tetrahydropyran-3-yl] 3,5-dichloro-2-ethyl-4,6-dihydroxy-benzoate

País de origen

CANADA

Formato del producto

Neat