ChemicalBook--->CAS DataBase List--->73809-05-9

73809-05-9

73809-05-9 Structure

73809-05-9 Structure
IdentificationBack Directory
[Name]

3-EPI-25-HYDROXYVITAMIN D3
[CAS]

73809-05-9
[Synonyms]

3-EPI-25-HYDROXYVITAMIN D3
3-epi-25-Hydroxyvitamin D3 solution
3-[2-[1-(6-hydroxy-6-methylheptan-2-yl)-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexan-1-ol
1H-Indene-1-pentanol, octahydro-4-[(2Z)-2-[(5R)-5-hydroxy-2-methylenecyclohexylidene]ethylidene]-α,α,ε,7a-tetramethyl-, (εR,1R,3aS,4E,7aR)-
(1R,3Z)-3-[(2E)-2-[(1R,3aS,7aR)-1-[(2R)-6-hydroxy-6-methylheptan-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexan-1-ol
[Molecular Formula]

C27H44O2
[MDL Number]

MFCD11656130
[MOL File]

73809-05-9.mol
[Molecular Weight]

400.64
Chemical PropertiesBack Directory
[Melting point ]

60-62°C
[Boiling point ]

529.2±33.0 °C(Predicted)
[density ]

1.01±0.1 g/cm3(Predicted)
[Fp ]

14 °C
[storage temp. ]

-20°C
[solubility ]

Chloroform: slightly soluble,Ethyl Acetate: slightly soluble
[form ]

A solid
[pka]

14.74±0.20(Predicted)
[color ]

white to off-white
[Stability:]

Light Sensitive, Temperature Sensitive, Toxic
[Major Application]

detection
[InChIKey]

JWUBBDSIWDLEOM-YBRVPPGONA-N
[SMILES]

[C@]12(C)CCC/C(=C\C=C3\C[C@H](O)CCC\3=C)/[C@]1([H])CC[C@@H]2[C@H](C)CCCC(C)(C)O |&1:0,10,16,20,21,r|
Safety DataBack Directory
[Hazard Codes ]

T+,F
[Risk Statements ]

24/25-26-48/25-11
[Safety Statements ]

28-36/37-45-16-7
[RIDADR ]

UN1170 - class 3 - PG 2 - Ethanol, solution
[WGK Germany ]

3
[Storage Class]

3 - Flammable liquids
[Hazard Classifications]

Eye Irrit. 2
Flam. Liq. 2
Hazard InformationBack Directory
[Chemical Properties]

White to Off-White Solid
[Uses]

3-epi-25-Hydroxyvitamin D3 abbreviated as 3-epi-25(OH)D3 is a metabolite of vitamin D3 produced in the liver. 3-epi-25(OH)D3 is used as a biomarker to determine the status of vitamin D in the body. It can be also employed as an analytical standard for the quantification of 3-epi-25(OH)D3 molecules in human serum using the LC-MS/MS method.
[Uses]

The epimer metabolite of Calcifediol or 25-hydroxyvitamin D3 (C125700).
[Uses]

The labelled epimer metabolite of Calcifediol or 25-hydroxyvitamin D3 (C125700).
[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.
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