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CAS 65445-14-9

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1α-Hydroxy-5,6-trans-vitamin D3

Description:
1α-Hydroxy-5,6-trans-vitamin D3, also known as 1α-hydroxycholecalciferol, is a synthetic derivative of vitamin D3 that plays a crucial role in calcium and phosphate metabolism. It is characterized by the presence of a hydroxyl group at the 1α position, which enhances its biological activity compared to its parent compound, cholecalciferol. This compound is typically used in the treatment of conditions related to calcium deficiency, such as osteoporosis and rickets, as it promotes intestinal absorption of calcium and phosphate. Its structure includes a trans configuration at the 5,6 position, which is significant for its biological function. 1α-Hydroxy-5,6-trans-vitamin D3 is soluble in organic solvents and has a relatively low solubility in water, which influences its formulation in pharmaceutical applications. The compound is generally well-tolerated, but like other vitamin D analogs, it requires careful dosing to avoid potential toxicity associated with hypercalcemia. Overall, it is a vital compound in the field of endocrinology and nutrition.
Formula:C27H44O2
InChI:InChI=1/C27H44O2/c1-18(2)8-6-9-19(3)24-13-14-25-21(10-7-15-27(24,25)5)11-12-22-16-23(28)17-26(29)20(22)4/h11-12,18-19,23-26,28-29H,4,6-10,13-17H2,1-3,5H3/b21-11+,22-12-/t19-,23+,24-,25+,26-,27-/m1/s1
InChI key:InChIKey=OFHCOWSQAMBJIW-AOSUDXALSA-N
SMILES:C[C@@]12[C@](\C(=C\C=C/3\C(=C)[C@@H](O)C[C@H](O)C3)\CCC1)(CC[C@@]2([C@@H](CCCC(C)C)C)[H])[H]
Synonyms:
  • 1,3-Cyclohexanediol, 5-[(2E)-2-[(1R,3aS,7aR)-1-[(1R)-1,5-dimethylhexyl]octahydro-7a-methyl-4H-inden-4-ylidene]ethylidene]-4-methylene-, (1R,3S)-
  • 9,10-Secocholesta-5,7,10(19)-triene-1,3-diol, (1α,3β,5E,7E)-
  • 1α-Hydroxy-5,6-trans-vitamin D3
  • (1R,3S)-5-[(2E)-2-[(1R,3aS,7aR)-1-[(1R)-1,5-Dimethylhexyl]octahydro-7a-methyl-4H-inden-4-ylidene]ethylidene]-4-methylene-1,3-cyclohexanediol
  • See more synonyms
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