2-Fluorovitamin D3
[CAS# 103638-37-5]

Identification

• Name: 2-Fluorovitamin D3
• Synonyms: (1S,2S,5Z)-5-[(2E)-2-[(1R,3As,7Ar)-1-[(1R)-1,5-Dimethylhexyl]-7A-Methyl-2,3,3A,5,6,7-Hexahydro-1H-Inden-4-Ylidene]Ethylidene]-2-Fluoro-4-Methylene-Cyclohexan-1-Ol; (1S,2S,5Z)-5-[(2E)-2-[(1R,3As,7Ar)-1-[(1R)-1,5-Dimethylhexyl]-7A-Methyl-2,3,3A,5,6,7-Hexahydro-1H-Inden-4-Ylidene]Ethylidene]-2-Fluoro-4-Methylene-1-Cyclohexanol; (1S,2S,5Z)-5-[(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]-2-Fluoro-4-Methylidene-Cyclohexan-1-Ol
• Molecular Formula: C₂₇H₄₃FO
• Molecular Weight: 402.63
• CAS Registry Number: 103638-37-5
• SMILES: [C@]13([C@H](\C(CCC1)=C\C=C\2C(C[C@H](F)[C@@H](O)C2)=C)CC[C@@H]3[C@@H](CCCC(C)C)C)C
• InChI: 1S/C27H43FO/c1-18(2)8-6-9-19(3)23-13-14-24-21(10-7-15-27(23,24)5)11-12-22-17-26(29)25(28)16-20(22)4/h11-12,18-19,23-26,29H,4,6-10,13-17H2,1-3,5H3/b21-11+,22-12-/t19-,23-,24+,25+,26+,27-/m1/s1
• InChIKey: BRKJGWLWZNQAQB-HUEPGBSESA-N

Properties

• Density: 1g/cm³ (Cal.)
• Boiling point: 500.657°C at 760 mmHg (Cal.)
• Flash point: 310.228°C (Cal.)