9002-23-7 Purity
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Specification
The molecular formula of Calcidiol is C27H44O2.
Another name for Calcidiol is Calcifediol.
Calcidiol is the major circulating metabolite of vitamin D3.
Calcidiol has a role as a bone density conservation agent, a nutraceutical, a metabolite, a human metabolite, and a mouse metabolite.
Calcidiol is a prehormone resulting from the oxidation of calciol in the liver, and it is further hydroxylated in the kidney to give calcitriol, the active form of vitamin D3.
The molecular weight of Calcidiol is 400.6 g/mol.
The IUPAC name of Calcidiol is (1S,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.
The InChIKey for Calcidiol is JWUBBDSIWDLEOM-DTOXIADCSA-N.
The Canonical SMILES representation of Calcidiol is CC(CCCC(C)(C)O)C1CCC2C1(CCCC2=CC=C3CC(CCC3=C)O)C.
The CAS number for Calcidiol is 19356-17-3.