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Merck
CN

751332

3-epi-25-Hydroxyvitamin D3 (6,19,19-d3) solution

100 μg/mL in ethanol, 98 atom % D, 98% (CP)

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About This Item

Empirical Formula (Hill Notation):
C27D3H41O2
Molecular Weight:
403.66
NACRES:
NA.24
PubChem Substance ID:
329766206
UNSPSC Code:
12352106
MDL number:
MFCD19686994
Isotopic purity:
98 atom % D
Assay:
98% (CP)
Mass shift:
M+3
Form:
solution

Key Documents

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InChI key

JWUBBDSIWDLEOM-BOFGWHLFSA-N

SMILES string

[2H]/C([2H])=C1CC[C@@H](O)CC\1=C([2H])\C=C2/CCC[C@]3(C)[C@H](CC[C@@H]23)[C@H](C)CCCC(C)(C)O

InChI

1S/C27H44O2/c1-19-10-13-23(28)18-22(19)12-11-21-9-7-17-27(5)24(14-15-25(21)27)20(2)8-6-16-26(3,4)29/h11-12,20,23-25,28-29H,1,6-10,13-18H2,2-5H3/b21-11+,22-12-/t20-,23-,24-,25+,27-/m1/s1/i1D2,12D

isotopic purity

98 atom % D

assay

98% (CP)

form

solution

concentration

100 μg/mL in ethanol

technique(s)

mass spectrometry (MS): suitable

color

colorless

application(s)

detection

mass shift

M+3

storage temp.

−20°C

Quality Level

200

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General description

3-epi-25-Hydroxyvitamin D3 [3-epi-25(OH)D3] or (C3-epimer) is a metabolite of vitamin D. It is an epimer of 25-hydroxyvitamin D3 which differs only at C-3 position wherein -OH group at C-3 carbon is in the α orientation rather than in the β orientation.
3-epi-25-Hydroxyvitamin D3 (6,19,19-d3) is a deuterated vitamin D3 wherein C-6 and C-19 protons are replaced by deuterium.

Application

3-epi-25-Hydroxyvitamin D3 (6,19,19-d3) can be used as an analytical standard for the quantitative analysis of 3-epi-25-hydroxyvitamin D3 content in biological fluids via LC-MS/MS.

Packaging

1 mL in ampule

pictograms

FlameExclamation mark
GHS02,GHS07

signalword

Danger

hcodes

H225,H319

Hazard Classifications

Eye Irrit. 2 - Flam. Liq. 2

Storage Class

3 - Flammable liquids

wgk

WGK 1

flash_point_f

57.2 °F - closed cup - Solvent

flash_point_c

14.0 °C - closed cup - Solvent

Regulatory Information

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Certificates of Analysis (COA)

Lot/Batch Number
MBBD1399
MBBC9159
MBBC7927
MBBC7775
MBBC5242

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Overestimation of 25-hydroxyvitamin D3 by increased ionisation efficiency of 3-epi-25-hydroxyvitamin D3 in LC-MS/MS methods not separating both metabolites as determined by an LC-MS/MS method for separate quantification of 25-hydroxyvitamin D3, 3-epi-25-hydroxyvitamin D3 and 25-hydroxyvitamin D2 in human serum
van den Ouweland JMW, et al.
Journal of Chromatography. B, Analytical Technologies in the Biomedical and Life Sciences, 967, 195-202 (2014)

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