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About This Item
Empirical Formula (Hill Notation):
C27H44O2
CAS Number:
Molecular Weight:
400.64
NACRES:
NA.24
PubChem Substance ID:
UNSPSC Code:
12352205
EC Number:
200-578-6
MDL number:
Assay:
98% (CP)
Form:
solution
Quality Level
assay
98% (CP)
form
solution
concentration
50 μg/mL in ethanol
technique(s)
mass spectrometry (MS): suitable
color
colorless
mp
-144.0 °C
application(s)
detection
storage temp.
−20°C
SMILES string
C[C@H](CCCC(C)(C)O)[C@H]1CC[C@H]2\C(CCC[C@]12C)=C\C=C3\C[C@H](O)CCC3=C
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
InChI key
JWUBBDSIWDLEOM-UEGFJKGBSA-N
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 C-3 position wherein -OH group at C-3 carbon is in the α orientation rather than in the β orientation.
Application
This product may be used as an analytical standard.
Packaging
1 mL in ampule
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signalword
Danger
hcodes
Hazard Classifications
Eye Irrit. 2 - Flam. Liq. 2
Storage Class
3 - Flammable liquids
wgk
WGK 1
flash_point_f
57.2 °F - closed cup
flash_point_c
14.0 °C - closed cup
Regulatory Information
危险化学品
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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)
Global Trade Item Number
| SKU | GTIN |
|---|---|
| 739928-1ML | 04061838085245 |

