N-Acetyl Serotonin-d4 Tri-O-acetyl-Beta-D-glucuronide Methyl Ester

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Analyte Name

N-Acetyl Serotonin-d4 Tri-O-acetyl-beta-D-glucuronide Methyl Ester

Molecular Formula

C25H26D4N2O11

Molecular Weight

538.54

Accurate Mass

538.21

SMILES

[2H]C(C([2H])([2H])NC(C)=O)([2H])C1=CNC2=CC=C(O[C@H]3[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@@H](C(OC)=O)O3)C=C21

InChI

InChI=1S/C25H30N2O11/c1-12(28)26-9-8-16-11-27-19-7-6-17(10-18(16)19)37-25-23(36-15(4)31)21(35-14(3)30)20(34-13(2)29)22(38-25)24(32)33-5/h6-7,10-11,20-23,25,27H,8-9H2,1-5H3,(H,26,28)/t20-,21-,22-,23+,25+/m0/s1/i8D2,9D2

IUPAC

(2S,3R,4S,5S,6S)-2-((3-(2-acetamidoethyl-1,1,2,2-d4)-1H-indol-5-yl)oxy)-6-(methoxycarbonyl)tetrahydro-2H-pyran-3,4,5-triyl triacetate

SIL Type

Deuterium

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat