Cholecalciferol

From DrugPedia: A Wikipedia for Drug discovery

[edit] Description

Show 3-D Structure

Derivative of 7-dehydroxycholesterol formed by ULTRAVIOLET RAYS breaking of the C9-C10 bond. It differs from ERGOCALCIFEROL in having a single bond between C22 and C23 and lacking a methyl group at C24.

[edit] General Properties

*Molecular Weight

384.64

*Molecular Formula

C₂₇H₄₄O

*IUPAC NAME

(1S,3E)-3-[(2E)-2-[(1R,3aS,7aR)-7a-methyl-1-[(2R)-6-methylheptan-2-yl]-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexan-1-ol

*Canonical Smiles

CC(C)CCCC(C)C1CCC2C1(CCCC2=CC=C3CC(CCC3=C)O)C

*Isomeric Smiles

CC(C)CCC[C@@H](C)[C@H]1CC[C@@H]2[C@@]1(CCC/C2=CC=C3/C[C@H](CCC3=C)O)C

[edit] PhysioChemical Properties

*Melting Point

*LogP

*Water Solubility

[edit] External Links

• [1]Pubchem
• [2]KEGG Compound
• [3]KEGG Drug
• [4]Human Metabolome DataBase