Fidaxomicin degradation impurity
Product Code
TRC-F019355-25MG
Product Format
Neat
Molecular Formula
C41 H54 Cl2 O12
Molecular Weight
809.76626
Product Categories
Product Information
Chemical Data
Analyte Name
Fidaxomicin degradation impurity
Molecular Formula
C41 H54 Cl2 O12
Molecular Weight
809.76626
Accurate Mass
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
Product Data
Country of Origin
CANADA
Product Format
Neat
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