N-(Trifluoroacetyl)-thyroxine-13C6 4’-O-Beta-D-Glucuronide Triacetate Dimethyl Ester

Nazwa analitu

N-(Trifluoroacetyl)-thyroxine-13C6 4’-O-beta-D-Glucuronide Triacetate Dimethyl Ester

Wzór cząsteczkowy

C₂₅¹³C₆H₂₈F₃I₄NO₁₄

Masa cząsteczkowa

1209.12

Dokładna masa

1208.78

SMILES

IC1=C(C(I)=CC(C[C@H](NC(C(F)(F)F)=O)C(OC)=O)=C1)O[13C]2=[13CH][13C](I)=[13C](O[C@@H]3O[C@H](C(OC)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]3OC(C)=O)[13C](I)=[13CH]2

InChI

InChI=1S/C31H28F3I4NO14/c1-11(40)48-23-24(49-12(2)41)26(50-13(3)42)29(53-25(23)28(44)47-5)52-22-18(37)9-15(10-19(22)38)51-21-16(35)6-14(7-17(21)36)8-20(27(43)46-4)39-30(45)31(32,33)34/h6-7,9-10,20,23-26,29H,8H2,1-5H3,(H,39,45)/t20-,23?,24?,25?,26?,29+/m0/s1/i9+1,10+1,15+1,18+1,19+1,22+1

IUPAC

(2S,3R,4S,5S,6S)-2-(4-(2,6-diiodo-4-((S)-3-methoxy-3-oxo-2-(2,2,2-trifluoroacetamido)propyl)phenoxy)-2,6-diiodophenoxy-1,2,3,4,5,6-13C6)-6-(methoxycarbonyl)tetrahydro-2H-pyran-3,4,5-triyl triacetate

Typ SIL

Carbon

Temperatura przechowywania

-20°C

Temperatura podczas transportu

Room Temperature

Kraj pochodzenia

CANADA

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