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Product Overview

Product Code

TRC-O714502

Product Format

Neat

Molecular Formula

C29H41D3O12

Molecular Weight

587.67

Product Categories

Enzyme inhibitors, TRC, Drugs, Approved therapeutics/drug candidates, Stable isotopes, Stable Isotope Labelled Analytical Standards, Cardiac drugs and beta blockers, Cardiac drugs and beta blockers

Product Type

Stable Isotope Labelled

Unlabelled CAS Number

630-60-4

Documentation

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Product Information

Chemical Data

Analyte Name

Ouabain-d3

Molecular Formula

C29H41D3O12

Molecular Weight

587.67

Accurate Mass

587.3

SMILES

O[C@@]12[C@]3([H])CC[C@]4(O)C[C@@H](O[C@H]5[C@H](O)[C@H](O)[C@@H](O)[C@H](C)O5)C[C@@H](O)[C@]4(CO)[C@@]3([H])[C@H](O)C[C@]1(C)[C@@H](C6=C([2H])C(OC6([2H])[2H])=O)CC2

InChI

InChI=1S/C29H44O12/c1-13-22(34)23(35)24(36)25(40-13)41-15-8-19(32)28(12-30)21-17(3-5-27(28,37)9-15)29(38)6-4-16(14-7-20(33)39-11-14)26(29,2)10-18(21)31/h7,13,15-19,21-25,30-32,34-38H,3-6,8-12H2,1-2H3/t13?,15-,16+,17+,18+,19+,21+,22-,23+,24+,25-,26?,27-,28+,29-/m0/s1/i7D,11D2

IUPAC

4-((1R,3S,5S,8R,9S,10R,11R,13R,14S,17R)-1,5,11,14-tetrahydroxy-10-(hydroxymethyl)-13-methyl-3-(((2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyltetrahydro-2H-pyran-2-yl)oxy)hexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)furan-2(5H)-one-3,5,5-d3

Unlabelled CAS Number

630-60-4

SIL Type

Deuterium

Product Data

Storage Temperature

+4°C

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Type

Stable Isotope Labelled

Product Format

Neat

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Ouabain-d3 (Major)

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