Cholecalciferol
From DrugPedia: A Wikipedia for Drug discovery
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==Description== | ==Description== | ||
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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. | 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. | ||
==General Properties== | ==General Properties== | ||
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[edit] Description
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
