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Product Overview

Product Code

TRC-L469182

CAS Number

83701-16-0

Product Format

Neat

Molecular Formula

C24 2H4 H36 O3

Molecular Weight

380.60

API Family

Lithocholic Acid

Product Categories

TRC, Stable isotopes, Bile acids, Pharmaceutical Toxicology Reference Materials , Lipids

Product Type

Stable Isotope Labelled, Bioactive Small Molecule

Unlabelled CAS Number

434-13-9

Documentation

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Product Information

Chemical Data

Analyte Name

Lithocholic acid-2,2,4,4-d4

CAS Number

83701-16-0

Molecular Formula

C24 2H4 H36 O3

Molecular Weight

380.60

Accurate Mass

380.3229

SMILES

[2H]C1([2H])C[C@]2(C)[C@H]3CC[C@]4(C)[C@H](CC[C@H]4[C@@H]3CC[C@@H]2C([2H])([2H])[C@@H]1O)[C@H](C)CCC(=O)O

InChI

InChI=1S/C24H40O3/c1-15(4-9-22(26)27)19-7-8-20-18-6-5-16-14-17(25)10-12-23(16,2)21(18)11-13-24(19,20)3/h15-21,25H,4-14H2,1-3H3,(H,26,27)/t15-,16-,17-,18+,19-,20+,21+,23+,24-/m1/s1/i10D2,14D2

IUPAC

(4R)-4-[(3R,5R,8R,9S,10S,13R,14S,17R)-2,2,4,4-tetradeuterio-3-hydroxy-10,13-dimethyl-3,5,6,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic acid

Unlabelled CAS Number

434-13-9

SIL Type

Deuterium

Product Data

Storage Temperature

-20°C

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Type

Stable Isotope Labelled

Product Format

Neat

API Family

Lithocholic Acid

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Product Overview

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Lithocholic Acid-d4

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