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Digoxin-d3

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For Research Use Only | Not For Clinical Use
CATAPS127299950
CAS127299-95-0
Structure
IUPAC Name3,5,5-trideuterio-4-[(3S,5R,8R,9S,10S,12R,13S,14S,17R)-3-[(2R,4S,5S,6R)-5-[(2S,4S,5S,6R)-5-[(2S,4S,5S,6R)-4,5-dihydroxy-6-methyloxan-2-yl]oxy-4-hydroxy-6-methyloxan-2-yl]oxy-4-hydroxy-6-methyloxan-2-yl]oxy-12,14-dihydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]furan-2-one
Molecular Weight783.96
Molecular FormulaC412H3H61O14
Canonical SMILES[2H]C1=C([C@H]2CC[C@]3(O)[C@@H]4CC[C@@H]5C[C@H](CC[C@]5(C)[C@H]4C[C@@H](O)[C@]23C)O[C@H]6C[C@H](O)[C@H](O[C@H]7C[C@H](O)[C@H](O[C@H]8C[C@H](O)[C@H](O)[C@@H](C)O8)[C@@H](C)O7)[C@@H](C)O6)C([2H])([2H])OC1=O
InChIInChI=1S/C41H64O14/c1-19-36(47)28(42)15-34(50-19)54-38-21(3)52-35(17-30(38)44)55-37-20(2)51-33(16-29(37)43)53-24-8-10-39(4)23(13-24)6-7-26-27(39)14-31(45)40(5)25(9-11-41(26,40)48)22-12-32(46)49-18-22/h12,19-21,23-31,33-38,42-45,47-48H,6-11,13-18H2,1-5H3/t19-,20-,21-,23-,24+,25-,26-,27+,28+,29+,30+,31-,33+,34+,35+,36-,37-,38-,39+,40+,41+/m1/s1/i12D,18D2
Accurate Mass783.4484
FormatNeat
Product TypeStable Isotope Labelled
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CATSizeShippingStorage ConditionsDescription
APS127299950-10MG 10MG Room Temperature -20°C Freezer Subcategory: Stable isotope labelled compounds, Oligosaccharides Inquiry
APS127299950-2.5MG 2.5MG Cold 2-8°C -20°C Subcategory: Oligosaccharides, Stable isotope labelled compounds, Pharmaceutical Inquiry
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