3-Demethyl Thiocolchicine-d3 2-O-(2,3,4-Tri-O-acetyl-Beta-D-glucuronide Methyl Ester)

Analyte Name

3-Demethyl Thiocolchicine-d3 2-O-(2,3,4-Tri-O-acetyl-beta-D-glucuronide Methyl Ester)

Molecular Formula

C34H36D3NO14S

Molecular Weight

720.76

Accurate Mass

720.23

SMILES

O=C1C=C([C@@H](NC(C([2H])([2H])[2H])=O)CCC2=C3C(OC)=C(OC)C(O[C@H]4O[C@@H](C(OC)=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]4OC(C)=O)=C2)C3=CC=C1SC

InChI

InChI=1S/C34H39NO14S/c1-15(36)35-22-11-9-19-13-24(27(42-5)28(43-6)26(19)20-10-12-25(50-8)23(40)14-21(20)22)48-34-32(47-18(4)39)30(46-17(3)38)29(45-16(2)37)31(49-34)33(41)44-7/h10,12-14,22,29-32,34H,9,11H2,1-8H3,(H,35,36)/t22-,29?,30?,31?,32?,34-/m0/s1/i1D3

IUPAC

(2R,3S,4R,5R,6R)-2-(((S)-7-(acetamido-2,2,2-d3)-1,2-dimethoxy-10-(methylthio)-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-3-yl)oxy)-6-(methoxycarbonyl)tetrahydro-2H-pyran-3,4,5-triyl triacetate

Unlabelled CAS Number

250662-47-6

SIL Type

Deuterium

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat