Calcifediol
(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
Molecular Identity
Calcifediol
(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
PubChem CID: 5283731
Calcidiol is a hydroxycalciol that is calciol in which the hydrogen at position 25 has been replaced by a hydroxy group. A prehormone resulting from the oxidation of calciol in the liver, it is further hydroxylated in the kidney to give calcitriol, the active form of vitamin D3. It has a role as a metabolite, a bone density conservation agent, a nutraceutical, a mouse metabolite and a human metabolite. It is a diol, a hydroxycalciol and a member of D3 vitamins.
2D Structure
Properties
C27H44O2
Molecular Formula
400.60
Molecular Weight
g/mol
400.3341
Exact Mass
Da
6.2
XLogP
Above Lipinski threshold
40.5
TPSA
Good oral absorption (< 140 A²)
2
H-Bond Donors
2
H-Bond Acceptors
655
Complexity
SMILES
Canonical SMILES
SMILES: Synonyms(20)
CalcifediolCalcidiol25-hydroxyvitamin D319356-17-3Calcifediol anhydrousDidrogylCalcifediolumRayaldeeCalcifediol monohydrate5,6-cis-25-Hydroxyvitamin D3Cholecalciferol, 25-hydroxy-25-Hydroxycholescalciferol25(OH)D325-Hydroxycholecalciferol monohydrateT0WXW8F54E
Data from PubChem (NCBI)
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