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751316

Sigma-Aldrich

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

≥98 atom % D, ≥98% (CP)

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Empirical Formula (Hill Notation):
C27D3H41O2
Molecular Weight:
403.66
MDL number:
PubChem Substance ID:
NACRES:
NA.24

isotopic purity

≥98 atom % D

Quality Level

Assay

≥98% (CP)

form

powder

technique(s)

mass spectrometry (MS): suitable

color

off-white to beige

mass shift

M+3

storage temp.

−20°C

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

InChI key

JWUBBDSIWDLEOM-BOFGWHLFSA-N

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This Item
751324802913705888
assay

≥98% (CP)

assay

98% (CP)

assay

97% (CP)

assay

≥98% (CP)

form

powder

form

solution

form

solution

form

powder

technique(s)

mass spectrometry (MS): suitable

technique(s)

mass spectrometry (MS): suitable

technique(s)

mass spectrometry (MS): suitable

technique(s)

mass spectrometry (MS): suitable

mass shift

M+3

mass shift

M+3

mass shift

M+6

mass shift

M+3

storage temp.

−20°C

storage temp.

−20°C

storage temp.

−20°C

storage temp.

−20°C

General description

3-epi-25-Hydroxyvitamin D3 (C3-epimer) is a metabolite of vitamin D3. It is an epimer of 25-hydroxyvitamin D3 which differs only at the 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 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

This product may be available from bulk stock and can be packaged on demand. For information on pricing, availability and packaging, please contact Stable Isotopes Customer Service.

Pictograms

Skull and crossbonesHealth hazard

Signal Word

Danger

Hazard Statements

Hazard Classifications

Acute Tox. 2 Inhalation - Acute Tox. 3 Dermal - Acute Tox. 3 Oral - STOT RE 1 Oral

Storage Class Code

6.1A - Combustible, acute toxic Cat. 1 and 2 / very toxic hazardous materials

WGK

WGK 3

Flash Point(F)

Not applicable

Flash Point(C)

Not applicable


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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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