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D-126

Supelco

Deoxycholic acid

500 μg/mL in methanol, certified reference material, Cerilliant®

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Synonym(s):
3α,12α-Dihydroxy-5β-cholanic acid, 7-Deoxycholic acid, Desoxycholic acid
Empirical Formula (Hill Notation):
C24H40O4
CAS Number:
83-44-3
Molecular Weight:
392.57
Beilstein:
3219882
EC Number:
200-659-6
MDL number:
MFCD00003673
UNSPSC Code:
41116107
PubChem Substance ID:
329798683
NACRES:
NA.24

grade

certified reference material

feature

Snap-N-Spike®/Snap-N-Shoot®

packaging

ampule of 1 mL

manufacturer/tradename

Cerilliant®

concentration

500 μg/mL in methanol

mp

171-174 °C (lit.)

format

single component solution

storage temp.

−20°C

SMILES string

C[C@H](CCC(O)=O)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C

InChI

1S/C24H40O4/c1-14(4-9-22(27)28)18-7-8-19-17-6-5-15-12-16(25)10-11-23(15,2)20(17)13-21(26)24(18,19)3/h14-21,25-26H,4-13H2,1-3H3,(H,27,28)/t14-,15-,16-,17+,18-,19+,20+,21+,23+,24-/m1/s1

InChI key

KXGVEGMKQFWNSR-LLQZFEROSA-N

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General description

This CERTIFIED SPIKING SOLUTION® is suitable for use as starting material in the preparation of linearity standards, calibrators, and controls in LC-MS/MS and GC/MS bile acid testing methods. Deoxycholic acid (DCA), also known as deoxycholate and cholanoic acid is a secondary bile acid that aids in the absorption of fats in the intestine. Mass spectrometry-based analysis of DCA is routinely performed in clinical diagnostic testing applications including neonatal testing of inborn errors of bile acid synthesis and differentiating among types of familial intrahepatic cholestasis.

Legal Information

CERILLIANT is a registered trademark of Merck KGaA, Darmstadt, Germany
CERTIFIED SPIKING SOLUTION is a registered trademark of Cerilliant Corporation
Snap-N-Shoot is a registered trademark of Cerilliant Corporation
Snap-N-Spike is a registered trademark of Merck KGaA, Darmstadt, Germany

Signal Word

Danger

Hazard Classifications

Acute Tox. 3 Dermal - Acute Tox. 3 Inhalation - Acute Tox. 3 Oral - Flam. Liq. 2 - STOT SE 1

Target Organs

Eyes,Central nervous system

WGK

WGK 2

Flash Point(F)

49.5 °F

Flash Point(C)

9.7 °C

Regulatory Information

危险化学品

Certificates of Analysis (COA)

Search for Certificates of Analysis (COA) by entering the products Lot/Batch Number. Lot and Batch Numbers can be found on a product’s label following the words ‘Lot’ or ‘Batch’.

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