1,24-Dihydroxy-25-Fluorovitamin D3
[CAS# 71699-09-7]

Identification

• Name: 1,24-Dihydroxy-25-Fluorovitamin D3
• Synonyms: (1S,3R,5Z)-5-[(2E)-2-[(1R,3As,7Ar)-1-[(1R,4R)-5-Fluoro-4-Hydroxy-1,5-Dimethyl-Hexyl]-7A-Methyl-2,3,3A,5,6,7-Hexahydro-1H-Inden-4-Ylidene]Ethylidene]-4-Methylene-Cyclohexane-1,3-Diol; (1S,3R,5Z)-5-[(2E)-2-[(1R,3As,7Ar)-1-[(1R,4R)-5-Fluoro-4-Hydroxy-1,5-Dimethylhexyl]-7A-Methyl-2,3,3A,5,6,7-Hexahydro-1H-Inden-4-Ylidene]Ethylidene]-4-Methylenecyclohexane-1,3-Diol; (1S,3R,5Z)-5-[(2E)-2-[(1R,3As,7Ar)-1-[(2R,5R)-6-Fluoro-5-Hydroxy-6-Methyl-Heptan-2-Yl]-7A-Methyl-2,3,3A,5,6,7-Hexahydro-1H-Inden-4-Ylidene]Ethylidene]-4-Methylidene-Cyclohexane-1,3-Diol
• Molecular Formula: C₂₇H₄₃FO₃
• Molecular Weight: 434.63
• CAS Registry Number: 71699-09-7
• SMILES: [C@]13([C@H](\C(CCC1)=C\C=C\2C([C@H](O)C[C@@H](O)C2)=C)CC[C@@H]3[C@@H](CC[C@@H](O)C(F)(C)C)C)C
• InChI: 1S/C27H43FO3/c1-17(8-13-25(31)26(3,4)28)22-11-12-23-19(7-6-14-27(22,23)5)9-10-20-15-21(29)16-24(30)18(20)2/h9-10,17,21-25,29-31H,2,6-8,11-16H2,1,3-5H3/b19-9+,20-10-/t17-,21+,22-,23+,24-,25-,27-/m1/s1
• InChIKey: YCISVTDRTZUPLT-NTXAFIHPSA-N

Properties

• Density: 1.094g/cm³ (Cal.)
• Boiling point: 579.067°C at 760 mmHg (Cal.)
• Flash point: 304.009°C (Cal.)