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803030

25-Hydroxyvitamin D₃-26,26,26,27,27,27-d₆ monohydrate

Name: 25-Hydroxyvitamin D<SUB>3</SUB>-26,26,26,27,27,27-d<SUB>6</SUB> monohydrate
Brand: ALDRICH

98 atom % D, 97% (CP)

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About This Item

Empirical Formula (Hill Notation):

C₂₇D₆H₃₈O₂ · H₂O

CAS Number:

2483831-70-3

Molecular Weight:

424.69

MDL number:

MFCD31814246

UNSPSC Code:

12352106

PubChem Substance ID:

329768775

NACRES:

NA.12

Isotopic purity:

98 atom % D

Assay:

97% (CP)

Mass shift:

M+6

Form:

powder

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Properties

isotopic purity

98 atom % D

Quality Segment

200

assay

97% (CP)

form

powder

technique(s)

mass spectrometry (MS): suitable

color

white to off-white

application(s)

detection

mass shift

M+6

storage temp.

−20°C

SMILES string

C[C@]1(CCC/2)C(CCC1[C@H](C)CCCC(O)(C([2H])([2H])[2H])C([2H])([2H])[2H])C2=C\C=C(C[C@@H](O)CC3)/C3=C.[H]O[H]

InChI

1S/C27H44O2.H2O/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;1H2/b21-11+,22-12-;/t20-,23+,24?,25?,27-;/m1./s1/i3D3,4D3;

InChI key

WRLFSJXJGJBFJQ-DZAJWRDGSA-N

Description

General description

25-hydroxyvitamin D₃ (calcifediol) is a prohormone produced via hydroxylation of vitamin D₃ (cholecalciferol) in the liver. It is a precursor for the synthesis of calcitriol {1,25-dihydroxyvitamin D₃ or [1,25(OH)₂D₃]}. It is used as a biomarker to determine the status of vitamin D in the body.
25-Hydroxyvitamin D₃-26,26,26,27,27,27-d₆ monohydrate is a deuterated vitamin D₃ wherein methyl protons of C-26, C-27 carbons are replaced by deuterium.

Application

25-Hydroxyvitamin D₃-26,26,26,27,27,27-d₆ monohydrate can be used as a stable isotope internal standard for data interpretation in specific biological samples by mass spectrometry.

pictograms

GHS06,GHS08

signalword

Danger

hcodes

H301 + H311,H330,H372

pcodes

P260 - P264 - P280 - P302 + P352 + P312 - P304 + P340 + P310 - P314

Hazard Classifications

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

Storage Class

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

wgk

WGK 3

flash_point_f

Not applicable

flash_point_c